N-(4-ethylphenyl)-18'-[3-(4-methyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7'-ylanilino)phenyl]-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7'-amine

C93H62N2 — CID 137493246

IUPACN-(4-ethylphenyl)-18'-[3-(4-methyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7'-ylanilino)phenyl]-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7'-amine
SMILESCCc1ccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)C2(c3ccccc3-c3ccccc32)c2c-4ccc3c(-c4cccc(N(c5ccc(C)cc5)c5ccc6cc7c(cc6c5)C5(c6ccccc6-c6ccccc65)c5c-7ccc6ccccc56)c4)cccc23)cc1
InChIInChI=1S/C93H62N2/c1-3-59-37-44-68(45-38-59)94(66-21-5-4-6-22-66)70-46-39-61-55-83-81-50-49-74-72(29-18-30-79(74)91(81)93(89(83)57-64(61)52-70)86-33-15-11-27-77(86)78-28-12-16-34-87(78)93)63-20-17-23-69(51-63)95(67-42-35-58(2)36-43-67)71-47-40-62-54-82-80-48-41-60-19-7-8-24-73(60)90(80)92(88(82)56-65(62)53-71)84-31-13-9-25-75(84)76-26-10-14-32-85(76)92/h4-57H,3H2,1-2H3
InChIKeyILPPVAVXNCHHOB-UHFFFAOYSA-N
MW1207.53 g/mol
LogP24.46
Rot. Bonds8

About N-(4-ethylphenyl)-18'-[3-(4-methyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7'-ylanilino)phenyl]-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7'-amine

N-(4-ethylphenyl)-18'-[3-(4-methyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7'-ylanilino)phenyl]-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7'-amine (PubChem CID 137493246) has the molecular formula C93H62N2 and a molecular weight of 1207.53 g/mol. Its IUPAC name is N-(4-ethylphenyl)-18'-[3-(4-methyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7'-ylanilino)phenyl]-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7'-amine.

Molecular Properties

Compound NameN-(4-ethylphenyl)-18'-[3-(4-methyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7'-ylanilino)phenyl]-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7'-amine
PubChem CID137493246
Molecular FormulaC93H62N2
Molecular Weight1207.53 g/mol
Exact Mass1206.49
IUPAC NameN-(4-ethylphenyl)-18'-[3-(4-methyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7'-ylanilino)phenyl]-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7'-amine
SMILESCCc1ccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)C2(c3ccccc3-c3ccccc32)c2c-4ccc3c(-c4cccc(N(c5ccc(C)cc5)c5ccc6cc7c(cc6c5)C5(c6ccccc6-c6ccccc65)c5c-7ccc6ccccc56)c4)cccc23)cc1
InChIInChI=1S/C93H62N2/c1-3-59-37-44-68(45-38-59)94(66-21-5-4-6-22-66)70-46-39-61-55-83-81-50-49-74-72(29-18-30-79(74)91(81)93(89(83)57-64(61)52-70)86-33-15-11-27-77(86)78-28-12-16-34-87(78)93)63-20-17-23-69(51-63)95(67-42-35-58(2)36-43-67)71-47-40-62-54-82-80-48-41-60-19-7-8-24-73(60)90(80)92(88(82)56-65(62)53-71)84-31-13-9-25-75(84)76-26-10-14-32-85(76)92/h4-57H,3H2,1-2H3
InChIKeyILPPVAVXNCHHOB-UHFFFAOYSA-N
XLogP24.46
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001207.53
LogP ≤ 524.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-ethylphenyl)-18'-[3-(4-methyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7'-ylanilino)phenyl]-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7'-amine with MolForge

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Related Compounds

N-(3-methylphenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7'-amine
CID 140962192
N-phenyl-N-(3-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-amine
CID 140962656
N-phenyl-N-(3-phenylphenyl)-7'-[3-[2-(N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylanilino)phenyl]phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-amine
CID 137493832
N,N-bis(4-methylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene]-7'-amine
CID 137493209
7-N',7-N',17-N',17-N'-tetraphenylspiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7',17'-diamine
CID 137495014
N-(2,4-dimethylphenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-amine
CID 137494447
7'-(4-methylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]
CID 145353249
N-(4-ethylphenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-amine
CID 137494328
7-N',17-N'-bis(3-methylphenyl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine;7-N',17-N'-bis(4-methylphenyl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine
CID 158059948
N-(4-ethylphenyl)-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-amine
CID 140962590
11,11-dimethyl-N,N-diphenylbenzo[a]fluoren-3-amine;N,N-diphenyl-4-[2-[4-(N-phenylanilino)phenyl]spiro[benzo[b]fluorene-11,9'-fluorene]-8-yl]aniline;N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]spiro[benzo[b]fluorene-11,9'-fluorene]-2-yl]naphthalen-1-amine
CID 165033930
N-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine
CID 156664798

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-18'-[3-(4-methyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7'-ylanilino)phenyl]-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7'-amine?
The IUPAC name of N-(4-ethylphenyl)-18'-[3-(4-methyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7'-ylanilino)phenyl]-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7'-amine (CID 137493246) is N-(4-ethylphenyl)-18'-[3-(4-methyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7'-ylanilino)phenyl]-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7'-amine.
What is the SMILES notation for N-(4-ethylphenyl)-18'-[3-(4-methyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7'-ylanilino)phenyl]-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7'-amine?
The canonical SMILES for N-(4-ethylphenyl)-18'-[3-(4-methyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7'-ylanilino)phenyl]-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7'-amine is CCc1ccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)C2(c3ccccc3-c3ccccc32)c2c-4ccc3c(-c4cccc(N(c5ccc(C)cc5)c5ccc6cc7c(cc6c5)C5(c6ccccc6-c6ccccc65)c5c-7ccc6ccccc56)c4)cccc23)cc1.
What is the InChIKey of N-(4-ethylphenyl)-18'-[3-(4-methyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7'-ylanilino)phenyl]-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7'-amine?
The InChIKey is ILPPVAVXNCHHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C93H62N2/c1-3-59-37-44-68(45-38-59)94(66-21-5-4-6-22-66)70-46-39-61-55-83-81-50-49-74-72(29-18-30-79(74)91(81)93(89(83)57-64(61)52-70)86-33-15-11-27-77(86)78-28-12-16-34-87(78)93)63-20-17-23-69(51-63)95(67-42-35-58(2)36-43-67)71-47-40-62-54-82-80-48-41-60-19-7-8-24-73(60)90(80)92(88(82)56-65(62)53-71)84-31-13-9-25-75(84)76-26-10-14-32-85(76)92/h4-57H,3H2,1-2H3.
What are the key properties of N-(4-ethylphenyl)-18'-[3-(4-methyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7'-ylanilino)phenyl]-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7'-amine?
N-(4-ethylphenyl)-18'-[3-(4-methyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7'-ylanilino)phenyl]-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7'-amine has a molecular weight of 1207.53 g/mol, XLogP of 24.46, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-18'-[3-(4-methyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7'-ylanilino)phenyl]-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7'-amine is sourced from PubChem (CID 137493246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).