N-cyclohexa-1,3-dien-1-yl-17-[4-(N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)anilino)naphthalen-1-yl]-8,8,14,14-tetramethyl-N-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,11,13(21),15,17,19-heptaen-5-amine

C67H61N3 — CID 89065132

IUPACN-cyclohexa-1,3-dien-1-yl-17-[4-(N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)anilino)naphthalen-1-yl]-8,8,14,14-tetramethyl-N-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,11,13(21),15,17,19-heptaen-5-amine
SMILESCC1(C)C2=C(C=CCC2)c2ccc(N(c3ccccc3)c3ccc(-c4cc5c6c(c4)c4c7n6C6=C(C=CCC6C(C)(C)C=7CC(N(C6=CC=CCC6)c6ccccc6)C=4)C5(C)C)c4ccccc34)cc21
InChIInChI=1S/C67H61N3/c1-65(2)55-30-19-18-28-50(55)51-34-33-46(40-58(51)65)69(45-25-14-9-15-26-45)61-36-35-48(49-27-16-17-29-52(49)61)42-37-53-54-39-47(68(43-21-10-7-11-22-43)44-23-12-8-13-24-44)41-60-63(54)70-62(53)59(38-42)66(3,4)56-31-20-32-57(64(56)70)67(60,5)6/h7-12,14-18,20-23,25-29,31,33-40,47,57H,13,19,24,30,32,41H2,1-6H3
InChIKeyFWBLFCHUBODYNN-UHFFFAOYSA-N
MW908.25 g/mol
LogP15.89
Rot. Bonds7

About N-cyclohexa-1,3-dien-1-yl-17-[4-(N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)anilino)naphthalen-1-yl]-8,8,14,14-tetramethyl-N-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,11,13(21),15,17,19-heptaen-5-amine

N-cyclohexa-1,3-dien-1-yl-17-[4-(N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)anilino)naphthalen-1-yl]-8,8,14,14-tetramethyl-N-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,11,13(21),15,17,19-heptaen-5-amine (PubChem CID 89065132) has the molecular formula C67H61N3 and a molecular weight of 908.25 g/mol. Its IUPAC name is N-cyclohexa-1,3-dien-1-yl-17-[4-(N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)anilino)naphthalen-1-yl]-8,8,14,14-tetramethyl-N-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,11,13(21),15,17,19-heptaen-5-amine.

Molecular Properties

Compound NameN-cyclohexa-1,3-dien-1-yl-17-[4-(N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)anilino)naphthalen-1-yl]-8,8,14,14-tetramethyl-N-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,11,13(21),15,17,19-heptaen-5-amine
PubChem CID89065132
Molecular FormulaC67H61N3
Molecular Weight908.25 g/mol
Exact Mass907.49
IUPAC NameN-cyclohexa-1,3-dien-1-yl-17-[4-(N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)anilino)naphthalen-1-yl]-8,8,14,14-tetramethyl-N-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,11,13(21),15,17,19-heptaen-5-amine
SMILESCC1(C)C2=C(C=CCC2)c2ccc(N(c3ccccc3)c3ccc(-c4cc5c6c(c4)c4c7n6C6=C(C=CCC6C(C)(C)C=7CC(N(C6=CC=CCC6)c6ccccc6)C=4)C5(C)C)c4ccccc34)cc21
InChIInChI=1S/C67H61N3/c1-65(2)55-30-19-18-28-50(55)51-34-33-46(40-58(51)65)69(45-25-14-9-15-26-45)61-36-35-48(49-27-16-17-29-52(49)61)42-37-53-54-39-47(68(43-21-10-7-11-22-43)44-23-12-8-13-24-44)41-60-63(54)70-62(53)59(38-42)66(3,4)56-31-20-32-57(64(56)70)67(60,5)6/h7-12,14-18,20-23,25-29,31,33-40,47,57H,13,19,24,30,32,41H2,1-6H3
InChIKeyFWBLFCHUBODYNN-UHFFFAOYSA-N
XLogP15.89
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500908.25
LogP ≤ 515.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-cyclohexa-1,3-dien-1-yl-17-[4-(N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)anilino)naphthalen-1-yl]-8,8,14,14-tetramethyl-N-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,11,13(21),15,17,19-heptaen-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[4-(N-cyclohexa-1,3-dien-1-ylanilino)phenyl]naphthalen-1-yl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 118503357
N-cyclohexa-1,3-dien-1-yl-5-[13,13-dimethyl-5-[5-(N-phenylanilino)-5,6-dihydronaphthalen-1-yl]-10-[5-(N-phenylanilino)naphthalen-1-yl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-16-yl]-N-phenylnaphthalen-1-amine
CID 89065312
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]naphthalen-1-yl]-7,8-dihydrofluoren-2-amine
CID 70894315
9-N-cyclohexa-1,3-dien-1-yl-7,7-dimethyl-5-N,5-N,9-N-triphenylbenzo[c]fluorene-5,9-diamine
CID 131994114
7-N-cyclohexa-1,3-dien-1-yl-9,9-dimethyl-2-N,2-N,7-N-triphenylfluorene-2,7-diamine
CID 143993809
7-N-cyclohexa-1,3-dien-1-yl-9,9-dimethyl-2-N,2-N,7-N-triphenylfluorene-2,7-diamine;ethane
CID 143993808
N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine
CID 155484122
9,9-dimethyl-N-(3-phenylphenyl)-N-[4-(4-triphenylen-1-ylphenyl)phenyl]-7,8-dihydrofluoren-2-amine
CID 153357644
9,9-dimethyl-N-[4-(9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaen-19-yl)phenyl]-N-(3-phenylphenyl)-7,8-dihydrofluoren-2-amine
CID 135163157
N-(4-carbazol-9-ylphenyl)-4-[4-[10-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)anthracen-9-yl]phenyl]-N-phenylaniline
CID 89196839
10-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-5-N,5-N,10-N-tris(9,9-dimethylfluoren-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-5,10-diamine
CID 89074369
8-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-3-N-(9,9-dimethylfluoren-2-yl)-3-N,8-N-diphenyl-5,6-dihydrobenzo[c]phenanthrene-3,8-diamine;ethane
CID 144726282

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,3-dien-1-yl-17-[4-(N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)anilino)naphthalen-1-yl]-8,8,14,14-tetramethyl-N-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,11,13(21),15,17,19-heptaen-5-amine?
The IUPAC name of N-cyclohexa-1,3-dien-1-yl-17-[4-(N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)anilino)naphthalen-1-yl]-8,8,14,14-tetramethyl-N-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,11,13(21),15,17,19-heptaen-5-amine (CID 89065132) is N-cyclohexa-1,3-dien-1-yl-17-[4-(N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)anilino)naphthalen-1-yl]-8,8,14,14-tetramethyl-N-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,11,13(21),15,17,19-heptaen-5-amine.
What is the SMILES notation for N-cyclohexa-1,3-dien-1-yl-17-[4-(N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)anilino)naphthalen-1-yl]-8,8,14,14-tetramethyl-N-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,11,13(21),15,17,19-heptaen-5-amine?
The canonical SMILES for N-cyclohexa-1,3-dien-1-yl-17-[4-(N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)anilino)naphthalen-1-yl]-8,8,14,14-tetramethyl-N-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,11,13(21),15,17,19-heptaen-5-amine is CC1(C)C2=C(C=CCC2)c2ccc(N(c3ccccc3)c3ccc(-c4cc5c6c(c4)c4c7n6C6=C(C=CCC6C(C)(C)C=7CC(N(C6=CC=CCC6)c6ccccc6)C=4)C5(C)C)c4ccccc34)cc21.
What is the InChIKey of N-cyclohexa-1,3-dien-1-yl-17-[4-(N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)anilino)naphthalen-1-yl]-8,8,14,14-tetramethyl-N-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,11,13(21),15,17,19-heptaen-5-amine?
The InChIKey is FWBLFCHUBODYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H61N3/c1-65(2)55-30-19-18-28-50(55)51-34-33-46(40-58(51)65)69(45-25-14-9-15-26-45)61-36-35-48(49-27-16-17-29-52(49)61)42-37-53-54-39-47(68(43-21-10-7-11-22-43)44-23-12-8-13-24-44)41-60-63(54)70-62(53)59(38-42)66(3,4)56-31-20-32-57(64(56)70)67(60,5)6/h7-12,14-18,20-23,25-29,31,33-40,47,57H,13,19,24,30,32,41H2,1-6H3.
What are the key properties of N-cyclohexa-1,3-dien-1-yl-17-[4-(N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)anilino)naphthalen-1-yl]-8,8,14,14-tetramethyl-N-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,11,13(21),15,17,19-heptaen-5-amine?
N-cyclohexa-1,3-dien-1-yl-17-[4-(N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)anilino)naphthalen-1-yl]-8,8,14,14-tetramethyl-N-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,11,13(21),15,17,19-heptaen-5-amine has a molecular weight of 908.25 g/mol, XLogP of 15.89, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,3-dien-1-yl-17-[4-(N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)anilino)naphthalen-1-yl]-8,8,14,14-tetramethyl-N-phenyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,11,13(21),15,17,19-heptaen-5-amine is sourced from PubChem (CID 89065132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).