9-[(E)-2-[11,11-dimethyl-3-(N-phenylanilino)benzo[a]fluoren-9-yl]ethenyl]-11,11-dimethyl-N,N-diphenylbenzo[a]fluoren-3-amine;5-[(E)-2-[11,11-dimethyl-3-(N-phenylanilino)benzo[a]fluoren-9-yl]ethenyl]-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine;5-[(E)-2-[7,7-dimethyl-5-(N-phenylanilino)benzo[g]fluoren-9-yl]ethenyl]-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine

C192H150N6 — CID 161116900

IUPAC9-[(E)-2-[11,11-dimethyl-3-(N-phenylanilino)benzo[a]fluoren-9-yl]ethenyl]-11,11-dimethyl-N,N-diphenylbenzo[a]fluoren-3-amine;5-[(E)-2-[11,11-dimethyl-3-(N-phenylanilino)benzo[a]fluoren-9-yl]ethenyl]-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine;5-[(E)-2-[7,7-dimethyl-5-(N-phenylanilino)benzo[g]fluoren-9-yl]ethenyl]-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine
SMILESCC1(C)c2cc(/C=C/c3ccc4c(c3)C(C)(C)c3c-4ccc4cc(N(c5ccccc5)c5ccccc5)ccc34)ccc2-c2ccc3cc(N(c4ccccc4)c4ccccc4)ccc3c21.CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2c1cc(/C=C/c1ccc3c(c1)C(C)(C)c1c-3ccc3cc(N(c4ccccc4)c4ccccc4)ccc13)c1ccccc21.CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2c1cc(/C=C/c1ccc3c(c1)C(C)(C)c1cc(N(c4ccccc4)c4ccccc4)c4ccccc4c1-3)c1ccccc21
InChIInChI=1S/3C64H50N2/c1-63(2)56-39-43(34-37-54(56)62-53-32-20-18-30-51(53)60(42-59(62)63)66(47-25-13-7-14-26-47)48-27-15-8-16-28-48)33-35-44-40-58-61(52-31-19-17-29-50(44)52)55-38-36-49(41-57(55)64(58,3)4)65(45-21-9-5-10-22-45)46-23-11-6-12-24-46;1-63(2)59-42-51(66(48-23-13-7-14-24-48)49-25-15-8-16-26-49)34-38-57(59)61-55-28-18-17-27-52(55)45(41-60(61)63)31-29-43-30-35-54-56-36-32-44-40-50(33-37-53(44)62(56)64(3,4)58(54)39-43)65(46-19-9-5-10-20-46)47-21-11-6-12-22-47;1-63(2)59-39-43(27-33-55(59)57-35-29-45-41-51(31-37-53(45)61(57)63)65(47-17-9-5-10-18-47)48-19-11-6-12-20-48)25-26-44-28-34-56-58-36-30-46-42-52(32-38-54(46)62(58)64(3,4)60(56)40-44)66(49-21-13-7-14-22-49)50-23-15-8-16-24-50/h3*5-42H,1-4H3/b35-33+;31-29+;26-25+
InChIKeyUKKYORFJXIITKV-VJCQXNQTSA-N
MW2541.35 g/mol
LogP53.15
Rot. Bonds24

About 9-[(E)-2-[11,11-dimethyl-3-(N-phenylanilino)benzo[a]fluoren-9-yl]ethenyl]-11,11-dimethyl-N,N-diphenylbenzo[a]fluoren-3-amine;5-[(E)-2-[11,11-dimethyl-3-(N-phenylanilino)benzo[a]fluoren-9-yl]ethenyl]-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine;5-[(E)-2-[7,7-dimethyl-5-(N-phenylanilino)benzo[g]fluoren-9-yl]ethenyl]-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine

9-[(E)-2-[11,11-dimethyl-3-(N-phenylanilino)benzo[a]fluoren-9-yl]ethenyl]-11,11-dimethyl-N,N-diphenylbenzo[a]fluoren-3-amine;5-[(E)-2-[11,11-dimethyl-3-(N-phenylanilino)benzo[a]fluoren-9-yl]ethenyl]-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine;5-[(E)-2-[7,7-dimethyl-5-(N-phenylanilino)benzo[g]fluoren-9-yl]ethenyl]-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine (PubChem CID 161116900) has the molecular formula C192H150N6 and a molecular weight of 2541.35 g/mol. Its IUPAC name is 9-[(E)-2-[11,11-dimethyl-3-(N-phenylanilino)benzo[a]fluoren-9-yl]ethenyl]-11,11-dimethyl-N,N-diphenylbenzo[a]fluoren-3-amine;5-[(E)-2-[11,11-dimethyl-3-(N-phenylanilino)benzo[a]fluoren-9-yl]ethenyl]-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine;5-[(E)-2-[7,7-dimethyl-5-(N-phenylanilino)benzo[g]fluoren-9-yl]ethenyl]-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine.

Molecular Properties

Compound Name9-[(E)-2-[11,11-dimethyl-3-(N-phenylanilino)benzo[a]fluoren-9-yl]ethenyl]-11,11-dimethyl-N,N-diphenylbenzo[a]fluoren-3-amine;5-[(E)-2-[11,11-dimethyl-3-(N-phenylanilino)benzo[a]fluoren-9-yl]ethenyl]-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine;5-[(E)-2-[7,7-dimethyl-5-(N-phenylanilino)benzo[g]fluoren-9-yl]ethenyl]-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine
PubChem CID161116900
Molecular FormulaC192H150N6
Molecular Weight2541.35 g/mol
Exact Mass2539.19
IUPAC Name9-[(E)-2-[11,11-dimethyl-3-(N-phenylanilino)benzo[a]fluoren-9-yl]ethenyl]-11,11-dimethyl-N,N-diphenylbenzo[a]fluoren-3-amine;5-[(E)-2-[11,11-dimethyl-3-(N-phenylanilino)benzo[a]fluoren-9-yl]ethenyl]-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine;5-[(E)-2-[7,7-dimethyl-5-(N-phenylanilino)benzo[g]fluoren-9-yl]ethenyl]-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine
SMILESCC1(C)c2cc(/C=C/c3ccc4c(c3)C(C)(C)c3c-4ccc4cc(N(c5ccccc5)c5ccccc5)ccc34)ccc2-c2ccc3cc(N(c4ccccc4)c4ccccc4)ccc3c21.CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2c1cc(/C=C/c1ccc3c(c1)C(C)(C)c1c-3ccc3cc(N(c4ccccc4)c4ccccc4)ccc13)c1ccccc21.CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2c1cc(/C=C/c1ccc3c(c1)C(C)(C)c1cc(N(c4ccccc4)c4ccccc4)c4ccccc4c1-3)c1ccccc21
InChIInChI=1S/3C64H50N2/c1-63(2)56-39-43(34-37-54(56)62-53-32-20-18-30-51(53)60(42-59(62)63)66(47-25-13-7-14-26-47)48-27-15-8-16-28-48)33-35-44-40-58-61(52-31-19-17-29-50(44)52)55-38-36-49(41-57(55)64(58,3)4)65(45-21-9-5-10-22-45)46-23-11-6-12-24-46;1-63(2)59-42-51(66(48-23-13-7-14-24-48)49-25-15-8-16-26-49)34-38-57(59)61-55-28-18-17-27-52(55)45(41-60(61)63)31-29-43-30-35-54-56-36-32-44-40-50(33-37-53(44)62(56)64(3,4)58(54)39-43)65(46-19-9-5-10-20-46)47-21-11-6-12-22-47;1-63(2)59-39-43(27-33-55(59)57-35-29-45-41-51(31-37-53(45)61(57)63)65(47-17-9-5-10-18-47)48-19-11-6-12-20-48)25-26-44-28-34-56-58-36-30-46-42-52(32-38-54(46)62(58)64(3,4)60(56)40-44)66(49-21-13-7-14-22-49)50-23-15-8-16-24-50/h3*5-42H,1-4H3/b35-33+;31-29+;26-25+
InChIKeyUKKYORFJXIITKV-VJCQXNQTSA-N
XLogP53.15
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms198
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002541.35
LogP ≤ 553.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 9-[(E)-2-[11,11-dimethyl-3-(N-phenylanilino)benzo[a]fluoren-9-yl]ethenyl]-11,11-dimethyl-N,N-diphenylbenzo[a]fluoren-3-amine;5-[(E)-2-[11,11-dimethyl-3-(N-phenylanilino)benzo[a]fluoren-9-yl]ethenyl]-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine;5-[(E)-2-[7,7-dimethyl-5-(N-phenylanilino)benzo[g]fluoren-9-yl]ethenyl]-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine with MolForge

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Related Compounds

5-[(E)-2-[7,7-dimethyl-9-(N-phenylanilino)benzo[c]fluoren-5-yl]ethenyl]-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine
CID 59412990
N-(12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)-12,12-dimethyl-N-phenylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaen-7-amine
CID 130289769
N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)-12,12-dimethyl-N-phenylpentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaen-17-amine;N-(12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)-12,12-dimethyl-N-phenylpentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaen-17-amine;N-(12,12-dimethyl-17-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaenyl)-12,12-dimethyl-N-phenylpentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaen-17-amine;N-(12,12-dimethyl-17-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaenyl)-12,12-dimethyl-N-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-(12,12-dimethyl-17-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaenyl)-12,12-dimethyl-N-phenylpentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaen-17-amine
CID 159784730
7-[(E)-2-[6-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]ethenyl]pyren-1-yl]ethenyl]-9,9-dimethyl-N-naphthalen-1-yl-N-phenylfluoren-2-amine;7-[(E)-2-[6-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-2-ylanilino)fluoren-2-yl]ethenyl]pyren-1-yl]ethenyl]-9,9-dimethyl-N-naphthalen-2-yl-N-phenylfluoren-2-amine;7-[(E)-2-[6-[(E)-2-[9,9-dimethyl-7-(4-phenyl-N-(4-phenylphenyl)anilino)fluoren-2-yl]ethenyl]pyren-1-yl]ethenyl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 158018910
7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]ethenyl]naphthalen-1-yl]ethenyl]-9,9-dimethyl-N-naphthalen-1-yl-N-phenylfluoren-2-amine
CID 59246065
N-[4-[(E)-2-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]phenyl]-N-naphthalen-1-ylphenanthren-9-amine
CID 89068019
11,11-dimethyl-3-N,3-N,9-N,9-N-tetraphenylbenzo[a]fluorene-3,9-diamine;11,11-dimethyl-2-N,2-N,8-N,8-N-tetraphenylbenzo[b]fluorene-2,8-diamine
CID 160909742
7-[(E)-2-[4-[10-[4-[(E)-2-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]phenyl]anthracen-9-yl]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 59245877
9,9-dimethyl-N,N-dinaphthalen-1-yl-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
CID 76639589
7-[2-[4-[2-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 91310997
7,7-dimethyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine
CID 162712053
2-N'-(9,9-dimethylfluoren-2-yl)-2-N',5-N,5-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',5-diamine
CID 168775359

Frequently Asked Questions

What is the IUPAC name of 9-[(E)-2-[11,11-dimethyl-3-(N-phenylanilino)benzo[a]fluoren-9-yl]ethenyl]-11,11-dimethyl-N,N-diphenylbenzo[a]fluoren-3-amine;5-[(E)-2-[11,11-dimethyl-3-(N-phenylanilino)benzo[a]fluoren-9-yl]ethenyl]-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine;5-[(E)-2-[7,7-dimethyl-5-(N-phenylanilino)benzo[g]fluoren-9-yl]ethenyl]-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine?
The IUPAC name of 9-[(E)-2-[11,11-dimethyl-3-(N-phenylanilino)benzo[a]fluoren-9-yl]ethenyl]-11,11-dimethyl-N,N-diphenylbenzo[a]fluoren-3-amine;5-[(E)-2-[11,11-dimethyl-3-(N-phenylanilino)benzo[a]fluoren-9-yl]ethenyl]-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine;5-[(E)-2-[7,7-dimethyl-5-(N-phenylanilino)benzo[g]fluoren-9-yl]ethenyl]-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine (CID 161116900) is 9-[(E)-2-[11,11-dimethyl-3-(N-phenylanilino)benzo[a]fluoren-9-yl]ethenyl]-11,11-dimethyl-N,N-diphenylbenzo[a]fluoren-3-amine;5-[(E)-2-[11,11-dimethyl-3-(N-phenylanilino)benzo[a]fluoren-9-yl]ethenyl]-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine;5-[(E)-2-[7,7-dimethyl-5-(N-phenylanilino)benzo[g]fluoren-9-yl]ethenyl]-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine.
What is the SMILES notation for 9-[(E)-2-[11,11-dimethyl-3-(N-phenylanilino)benzo[a]fluoren-9-yl]ethenyl]-11,11-dimethyl-N,N-diphenylbenzo[a]fluoren-3-amine;5-[(E)-2-[11,11-dimethyl-3-(N-phenylanilino)benzo[a]fluoren-9-yl]ethenyl]-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine;5-[(E)-2-[7,7-dimethyl-5-(N-phenylanilino)benzo[g]fluoren-9-yl]ethenyl]-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine?
The canonical SMILES for 9-[(E)-2-[11,11-dimethyl-3-(N-phenylanilino)benzo[a]fluoren-9-yl]ethenyl]-11,11-dimethyl-N,N-diphenylbenzo[a]fluoren-3-amine;5-[(E)-2-[11,11-dimethyl-3-(N-phenylanilino)benzo[a]fluoren-9-yl]ethenyl]-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine;5-[(E)-2-[7,7-dimethyl-5-(N-phenylanilino)benzo[g]fluoren-9-yl]ethenyl]-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine is CC1(C)c2cc(/C=C/c3ccc4c(c3)C(C)(C)c3c-4ccc4cc(N(c5ccccc5)c5ccccc5)ccc34)ccc2-c2ccc3cc(N(c4ccccc4)c4ccccc4)ccc3c21.CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2c1cc(/C=C/c1ccc3c(c1)C(C)(C)c1c-3ccc3cc(N(c4ccccc4)c4ccccc4)ccc13)c1ccccc21.CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2c1cc(/C=C/c1ccc3c(c1)C(C)(C)c1cc(N(c4ccccc4)c4ccccc4)c4ccccc4c1-3)c1ccccc21.
What is the InChIKey of 9-[(E)-2-[11,11-dimethyl-3-(N-phenylanilino)benzo[a]fluoren-9-yl]ethenyl]-11,11-dimethyl-N,N-diphenylbenzo[a]fluoren-3-amine;5-[(E)-2-[11,11-dimethyl-3-(N-phenylanilino)benzo[a]fluoren-9-yl]ethenyl]-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine;5-[(E)-2-[7,7-dimethyl-5-(N-phenylanilino)benzo[g]fluoren-9-yl]ethenyl]-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine?
The InChIKey is UKKYORFJXIITKV-VJCQXNQTSA-N. The full InChI is InChI=1S/3C64H50N2/c1-63(2)56-39-43(34-37-54(56)62-53-32-20-18-30-51(53)60(42-59(62)63)66(47-25-13-7-14-26-47)48-27-15-8-16-28-48)33-35-44-40-58-61(52-31-19-17-29-50(44)52)55-38-36-49(41-57(55)64(58,3)4)65(45-21-9-5-10-22-45)46-23-11-6-12-24-46;1-63(2)59-42-51(66(48-23-13-7-14-24-48)49-25-15-8-16-26-49)34-38-57(59)61-55-28-18-17-27-52(55)45(41-60(61)63)31-29-43-30-35-54-56-36-32-44-40-50(33-37-53(44)62(56)64(3,4)58(54)39-43)65(46-19-9-5-10-20-46)47-21-11-6-12-22-47;1-63(2)59-39-43(27-33-55(59)57-35-29-45-41-51(31-37-53(45)61(57)63)65(47-17-9-5-10-18-47)48-19-11-6-12-20-48)25-26-44-28-34-56-58-36-30-46-42-52(32-38-54(46)62(58)64(3,4)60(56)40-44)66(49-21-13-7-14-22-49)50-23-15-8-16-24-50/h3*5-42H,1-4H3/b35-33+;31-29+;26-25+.
What are the key properties of 9-[(E)-2-[11,11-dimethyl-3-(N-phenylanilino)benzo[a]fluoren-9-yl]ethenyl]-11,11-dimethyl-N,N-diphenylbenzo[a]fluoren-3-amine;5-[(E)-2-[11,11-dimethyl-3-(N-phenylanilino)benzo[a]fluoren-9-yl]ethenyl]-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine;5-[(E)-2-[7,7-dimethyl-5-(N-phenylanilino)benzo[g]fluoren-9-yl]ethenyl]-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine?
9-[(E)-2-[11,11-dimethyl-3-(N-phenylanilino)benzo[a]fluoren-9-yl]ethenyl]-11,11-dimethyl-N,N-diphenylbenzo[a]fluoren-3-amine;5-[(E)-2-[11,11-dimethyl-3-(N-phenylanilino)benzo[a]fluoren-9-yl]ethenyl]-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine;5-[(E)-2-[7,7-dimethyl-5-(N-phenylanilino)benzo[g]fluoren-9-yl]ethenyl]-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine has a molecular weight of 2541.35 g/mol, XLogP of 53.15, 24 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(E)-2-[11,11-dimethyl-3-(N-phenylanilino)benzo[a]fluoren-9-yl]ethenyl]-11,11-dimethyl-N,N-diphenylbenzo[a]fluoren-3-amine;5-[(E)-2-[11,11-dimethyl-3-(N-phenylanilino)benzo[a]fluoren-9-yl]ethenyl]-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine;5-[(E)-2-[7,7-dimethyl-5-(N-phenylanilino)benzo[g]fluoren-9-yl]ethenyl]-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine is sourced from PubChem (CID 161116900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).