N-[(6S)-2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)-6-methylcyclohexa-1,3-dien-1-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine

C69H50N2 — CID 145303098

IUPACN-[(6S)-2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)-6-methylcyclohexa-1,3-dien-1-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
SMILESC[C@H]1CC=CC(C2(c3ccccc3)c3ccccc3C3(c4ccccc4)c4ccccc4-c4cccc2c43)=C1N(c1ccc(-c2ccccc2)cc1)c1ccc2c3ccccc3n(-c3ccccc3)c2c1
InChIInChI=1S/C69H50N2/c1-47-22-20-38-63(68(50-25-8-3-9-26-50)60-35-17-18-36-61(60)69(51-27-10-4-11-28-51)59-34-16-14-31-55(59)58-33-21-37-62(68)66(58)69)67(47)70(53-42-40-49(41-43-53)48-23-6-2-7-24-48)54-44-45-57-56-32-15-19-39-64(56)71(65(57)46-54)52-29-12-5-13-30-52/h2-21,23-47H,22H2,1H3/t47-,68?,69?/m0/s1
InChIKeyOIKNWQURIBTPAD-GKRZCZORSA-N
MW907.17 g/mol
LogP17.15
Rot. Bonds8

About N-[(6S)-2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)-6-methylcyclohexa-1,3-dien-1-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine

N-[(6S)-2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)-6-methylcyclohexa-1,3-dien-1-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine (PubChem CID 145303098) has the molecular formula C69H50N2 and a molecular weight of 907.17 g/mol. Its IUPAC name is N-[(6S)-2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)-6-methylcyclohexa-1,3-dien-1-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine.

Molecular Properties

Compound NameN-[(6S)-2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)-6-methylcyclohexa-1,3-dien-1-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
PubChem CID145303098
Molecular FormulaC69H50N2
Molecular Weight907.17 g/mol
Exact Mass906.40
IUPAC NameN-[(6S)-2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)-6-methylcyclohexa-1,3-dien-1-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
SMILESC[C@H]1CC=CC(C2(c3ccccc3)c3ccccc3C3(c4ccccc4)c4ccccc4-c4cccc2c43)=C1N(c1ccc(-c2ccccc2)cc1)c1ccc2c3ccccc3n(-c3ccccc3)c2c1
InChIInChI=1S/C69H50N2/c1-47-22-20-38-63(68(50-25-8-3-9-26-50)60-35-17-18-36-61(60)69(51-27-10-4-11-28-51)59-34-16-14-31-55(59)58-33-21-37-62(68)66(58)69)67(47)70(53-42-40-49(41-43-53)48-23-6-2-7-24-48)54-44-45-57-56-32-15-19-39-64(56)71(65(57)46-54)52-29-12-5-13-30-52/h2-21,23-47H,22H2,1H3/t47-,68?,69?/m0/s1
InChIKeyOIKNWQURIBTPAD-GKRZCZORSA-N
XLogP17.15
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500907.17
LogP ≤ 517.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[(6S)-2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)-6-methylcyclohexa-1,3-dien-1-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine with MolForge

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Related Compounds

N,9-diphenyl-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]carbazol-2-amine
CID 170375341
9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 129264403
9-phenyl-N-(4-phenylphenyl)-N-[4-(3,9,9-triphenylfluoren-2-yl)phenyl]carbazol-2-amine
CID 146367853
9,9-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 90124595
N-methyl-N-[2-(4-methylspiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phenyl]-9-phenylcarbazol-2-amine
CID 131969708
9-phenyl-7-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)carbazol-3-amine
CID 167334078
9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 118505688
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-9,9-diphenylfluoren-2-amine
CID 145077283
N-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 170099431
N,9,9-triphenyl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine
CID 118505876
3-carbazol-9-yl-N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-4-(3,5-diphenylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 160587851
N,9,9-triphenyl-N-[4-[3-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]phenyl]fluoren-3-amine
CID 118505705

Frequently Asked Questions

What is the IUPAC name of N-[(6S)-2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)-6-methylcyclohexa-1,3-dien-1-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine?
The IUPAC name of N-[(6S)-2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)-6-methylcyclohexa-1,3-dien-1-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine (CID 145303098) is N-[(6S)-2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)-6-methylcyclohexa-1,3-dien-1-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine.
What is the SMILES notation for N-[(6S)-2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)-6-methylcyclohexa-1,3-dien-1-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine?
The canonical SMILES for N-[(6S)-2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)-6-methylcyclohexa-1,3-dien-1-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine is C[C@H]1CC=CC(C2(c3ccccc3)c3ccccc3C3(c4ccccc4)c4ccccc4-c4cccc2c43)=C1N(c1ccc(-c2ccccc2)cc1)c1ccc2c3ccccc3n(-c3ccccc3)c2c1.
What is the InChIKey of N-[(6S)-2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)-6-methylcyclohexa-1,3-dien-1-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine?
The InChIKey is OIKNWQURIBTPAD-GKRZCZORSA-N. The full InChI is InChI=1S/C69H50N2/c1-47-22-20-38-63(68(50-25-8-3-9-26-50)60-35-17-18-36-61(60)69(51-27-10-4-11-28-51)59-34-16-14-31-55(59)58-33-21-37-62(68)66(58)69)67(47)70(53-42-40-49(41-43-53)48-23-6-2-7-24-48)54-44-45-57-56-32-15-19-39-64(56)71(65(57)46-54)52-29-12-5-13-30-52/h2-21,23-47H,22H2,1H3/t47-,68?,69?/m0/s1.
What are the key properties of N-[(6S)-2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)-6-methylcyclohexa-1,3-dien-1-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine?
N-[(6S)-2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)-6-methylcyclohexa-1,3-dien-1-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine has a molecular weight of 907.17 g/mol, XLogP of 17.15, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6S)-2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)-6-methylcyclohexa-1,3-dien-1-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine is sourced from PubChem (CID 145303098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).