N-[7,7-dimethyl-9-[(Z)-3-(4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-2-(2,4,5-trimethylphenyl)prop-2-enyl]benzo[c]fluoren-5-yl]-9-methyl-N-(2,4,5-trimethylphenyl)carbazol-3-amine

C68H62N2 — CID 144613690

IUPACN-[7,7-dimethyl-9-[(Z)-3-(4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-2-(2,4,5-trimethylphenyl)prop-2-enyl]benzo[c]fluoren-5-yl]-9-methyl-N-(2,4,5-trimethylphenyl)carbazol-3-amine
SMILESCc1cc(C)c(/C(=C\c2ccc3c(c2)-c2ccccc2CCC3)Cc2ccc3c(c2)C(C)(C)c2cc(N(c4ccc5c(c4)c4ccccc4n5C)c4cc(C)c(C)cc4C)c4ccccc4c2-3)cc1C
InChIInChI=1S/C68H62N2/c1-41-31-45(5)58(33-43(41)3)51(35-47-25-27-50-19-16-18-49-17-10-11-20-53(49)59(50)37-47)36-48-26-29-57-61(38-48)68(7,8)62-40-66(54-21-12-13-23-56(54)67(57)62)70(65-34-44(4)42(2)32-46(65)6)52-28-30-64-60(39-52)55-22-14-15-24-63(55)69(64)9/h10-15,17,20-35,37-40H,16,18-19,36H2,1-9H3/b51-35-
InChIKeyJSGPGBQEHDMSAP-JDCDUORTSA-N
MW907.26 g/mol
LogP18.05
Rot. Bonds7

About N-[7,7-dimethyl-9-[(Z)-3-(4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-2-(2,4,5-trimethylphenyl)prop-2-enyl]benzo[c]fluoren-5-yl]-9-methyl-N-(2,4,5-trimethylphenyl)carbazol-3-amine

N-[7,7-dimethyl-9-[(Z)-3-(4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-2-(2,4,5-trimethylphenyl)prop-2-enyl]benzo[c]fluoren-5-yl]-9-methyl-N-(2,4,5-trimethylphenyl)carbazol-3-amine (PubChem CID 144613690) has the molecular formula C68H62N2 and a molecular weight of 907.26 g/mol. Its IUPAC name is N-[7,7-dimethyl-9-[(Z)-3-(4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-2-(2,4,5-trimethylphenyl)prop-2-enyl]benzo[c]fluoren-5-yl]-9-methyl-N-(2,4,5-trimethylphenyl)carbazol-3-amine.

Molecular Properties

Compound NameN-[7,7-dimethyl-9-[(Z)-3-(4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-2-(2,4,5-trimethylphenyl)prop-2-enyl]benzo[c]fluoren-5-yl]-9-methyl-N-(2,4,5-trimethylphenyl)carbazol-3-amine
PubChem CID144613690
Molecular FormulaC68H62N2
Molecular Weight907.26 g/mol
Exact Mass906.49
IUPAC NameN-[7,7-dimethyl-9-[(Z)-3-(4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-2-(2,4,5-trimethylphenyl)prop-2-enyl]benzo[c]fluoren-5-yl]-9-methyl-N-(2,4,5-trimethylphenyl)carbazol-3-amine
SMILESCc1cc(C)c(/C(=C\c2ccc3c(c2)-c2ccccc2CCC3)Cc2ccc3c(c2)C(C)(C)c2cc(N(c4ccc5c(c4)c4ccccc4n5C)c4cc(C)c(C)cc4C)c4ccccc4c2-3)cc1C
InChIInChI=1S/C68H62N2/c1-41-31-45(5)58(33-43(41)3)51(35-47-25-27-50-19-16-18-49-17-10-11-20-53(49)59(50)37-47)36-48-26-29-57-61(38-48)68(7,8)62-40-66(54-21-12-13-23-56(54)67(57)62)70(65-34-44(4)42(2)32-46(65)6)52-28-30-64-60(39-52)55-22-14-15-24-63(55)69(64)9/h10-15,17,20-35,37-40H,16,18-19,36H2,1-9H3/b51-35-
InChIKeyJSGPGBQEHDMSAP-JDCDUORTSA-N
XLogP18.05
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500907.26
LogP ≤ 518.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[7,7-dimethyl-9-[(Z)-3-(4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-2-(2,4,5-trimethylphenyl)prop-2-enyl]benzo[c]fluoren-5-yl]-9-methyl-N-(2,4,5-trimethylphenyl)carbazol-3-amine with MolForge

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Related Compounds

N-(9-benzyl-7,7-dimethylbenzo[c]fluoren-5-yl)-9-methyl-N-phenylcarbazol-3-amine
CID 90129003
N-[7,7-dimethyl-9-(2,4,6-trimethylphenyl)benzo[c]fluoren-5-yl]-N,9-diphenylcarbazol-3-amine
CID 90129053
5-N-(3,4-dimethylphenyl)-7,7-dimethyl-9-N-(9-methylcarbazol-1-yl)-5-N-(3-methylphenyl)-9-N-(10-methyl-6-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)benzo[c]fluorene-5,9-diamine
CID 90128734
5-carbazol-9-yl-7,7-dimethyl-N-[2-methyl-3-(2-methylphenyl)phenyl]-N-[3-(2-methylphenyl)-4-propylphenyl]benzo[g]fluoren-9-amine
CID 144613129
2-[17-[(Z)-2-(2,4-dimethylphenyl)-3-(18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-yl)prop-1-enyl]-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-11-yl]-9-phenylcarbazole
CID 146432700
4-[17-[(Z)-2-(2,4-dimethylphenyl)-3-(18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-yl)prop-1-enyl]-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-11-yl]-9-phenylcarbazole
CID 146432710
N-[7,7-dimethyl-9-(11-phenylbenzo[a]carbazol-3-yl)benzo[c]fluoren-5-yl]-N,9-diphenylcarbazol-3-amine
CID 90128745
N-dibenzothiophen-1-yl-9-methyl-N-(7,7,9-trimethylbenzo[c]fluoren-5-yl)carbazol-3-amine;9-ethyl-3-methyl-9H-fluorene;toluene
CID 144614559
N-dibenzofuran-1-yl-9-methyl-N-(7,7,9-trimethylbenzo[c]fluoren-5-yl)carbazol-3-amine;ethane;1-fluoro-2-methylbenzene;1-methyl-4-phenylbenzene
CID 144614329
9-[7-[(Z)-2-(9,9-dimethylfluoren-2-yl)-3-phenylprop-2-enyl]-9,9-diphenylfluoren-4-yl]carbazole
CID 166895492
5-N,9-N-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-7,7-dimethyl-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine
CID 118038912
7,7-diethyl-9-[(Z)-3-(9-methylcarbazol-4-yl)-2-phenylprop-1-enyl]-N-(9-methyl-9H-fluoren-4-yl)-N-phenylbenzo[c]fluoren-5-amine
CID 90129005

Frequently Asked Questions

What is the IUPAC name of N-[7,7-dimethyl-9-[(Z)-3-(4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-2-(2,4,5-trimethylphenyl)prop-2-enyl]benzo[c]fluoren-5-yl]-9-methyl-N-(2,4,5-trimethylphenyl)carbazol-3-amine?
The IUPAC name of N-[7,7-dimethyl-9-[(Z)-3-(4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-2-(2,4,5-trimethylphenyl)prop-2-enyl]benzo[c]fluoren-5-yl]-9-methyl-N-(2,4,5-trimethylphenyl)carbazol-3-amine (CID 144613690) is N-[7,7-dimethyl-9-[(Z)-3-(4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-2-(2,4,5-trimethylphenyl)prop-2-enyl]benzo[c]fluoren-5-yl]-9-methyl-N-(2,4,5-trimethylphenyl)carbazol-3-amine.
What is the SMILES notation for N-[7,7-dimethyl-9-[(Z)-3-(4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-2-(2,4,5-trimethylphenyl)prop-2-enyl]benzo[c]fluoren-5-yl]-9-methyl-N-(2,4,5-trimethylphenyl)carbazol-3-amine?
The canonical SMILES for N-[7,7-dimethyl-9-[(Z)-3-(4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-2-(2,4,5-trimethylphenyl)prop-2-enyl]benzo[c]fluoren-5-yl]-9-methyl-N-(2,4,5-trimethylphenyl)carbazol-3-amine is Cc1cc(C)c(/C(=C\c2ccc3c(c2)-c2ccccc2CCC3)Cc2ccc3c(c2)C(C)(C)c2cc(N(c4ccc5c(c4)c4ccccc4n5C)c4cc(C)c(C)cc4C)c4ccccc4c2-3)cc1C.
What is the InChIKey of N-[7,7-dimethyl-9-[(Z)-3-(4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-2-(2,4,5-trimethylphenyl)prop-2-enyl]benzo[c]fluoren-5-yl]-9-methyl-N-(2,4,5-trimethylphenyl)carbazol-3-amine?
The InChIKey is JSGPGBQEHDMSAP-JDCDUORTSA-N. The full InChI is InChI=1S/C68H62N2/c1-41-31-45(5)58(33-43(41)3)51(35-47-25-27-50-19-16-18-49-17-10-11-20-53(49)59(50)37-47)36-48-26-29-57-61(38-48)68(7,8)62-40-66(54-21-12-13-23-56(54)67(57)62)70(65-34-44(4)42(2)32-46(65)6)52-28-30-64-60(39-52)55-22-14-15-24-63(55)69(64)9/h10-15,17,20-35,37-40H,16,18-19,36H2,1-9H3/b51-35-.
What are the key properties of N-[7,7-dimethyl-9-[(Z)-3-(4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-2-(2,4,5-trimethylphenyl)prop-2-enyl]benzo[c]fluoren-5-yl]-9-methyl-N-(2,4,5-trimethylphenyl)carbazol-3-amine?
N-[7,7-dimethyl-9-[(Z)-3-(4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-2-(2,4,5-trimethylphenyl)prop-2-enyl]benzo[c]fluoren-5-yl]-9-methyl-N-(2,4,5-trimethylphenyl)carbazol-3-amine has a molecular weight of 907.26 g/mol, XLogP of 18.05, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7,7-dimethyl-9-[(Z)-3-(4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-2-(2,4,5-trimethylphenyl)prop-2-enyl]benzo[c]fluoren-5-yl]-9-methyl-N-(2,4,5-trimethylphenyl)carbazol-3-amine is sourced from PubChem (CID 144613690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).