N-[7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)-9,9-dimethylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine

C63H43N3 — CID 163517639

IUPACN-[7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)-9,9-dimethylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
SMILESCC1(C)c2cc(-c3cccc4c5cccc6c7ccccc7n(c34)c65)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C63H43N3/c1-63(2)54-38-42(46-22-13-24-51-52-25-14-23-50-49-20-9-11-26-56(49)66(61(46)51)62(50)52)32-36-47(54)48-37-35-45(39-55(48)63)64(44-33-30-41(31-34-44)40-16-5-3-6-17-40)58-28-15-29-59-60(58)53-21-10-12-27-57(53)65(59)43-18-7-4-8-19-43/h3-39H,1-2H3
InChIKeyDICSGAKKPIMVFK-UHFFFAOYSA-N
MW842.06 g/mol
LogP17.04
Rot. Bonds6

About N-[7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)-9,9-dimethylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine

N-[7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)-9,9-dimethylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine (PubChem CID 163517639) has the molecular formula C63H43N3 and a molecular weight of 842.06 g/mol. Its IUPAC name is N-[7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)-9,9-dimethylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine.

Molecular Properties

Compound NameN-[7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)-9,9-dimethylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
PubChem CID163517639
Molecular FormulaC63H43N3
Molecular Weight842.06 g/mol
Exact Mass841.35
IUPAC NameN-[7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)-9,9-dimethylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
SMILESCC1(C)c2cc(-c3cccc4c5cccc6c7ccccc7n(c34)c65)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C63H43N3/c1-63(2)54-38-42(46-22-13-24-51-52-25-14-23-50-49-20-9-11-26-56(49)66(61(46)51)62(50)52)32-36-47(54)48-37-35-45(39-55(48)63)64(44-33-30-41(31-34-44)40-16-5-3-6-17-40)58-28-15-29-59-60(58)53-21-10-12-27-57(53)65(59)43-18-7-4-8-19-43/h3-39H,1-2H3
InChIKeyDICSGAKKPIMVFK-UHFFFAOYSA-N
XLogP17.04
TPSA12.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.06
LogP ≤ 517.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)-9,9-dimethylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine with MolForge

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Related Compounds

9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 177080212
7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 118188086
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]fluoren-2-amine
CID 176878096
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]fluoren-2-amine
CID 155205825
N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 87412305
N-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine
CID 118186998
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)aniline
CID 166659757
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine
CID 118187004
N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine
CID 138710344
9,9-dimethyl-N-[2-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
CID 177077839
2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline
CID 170142720
N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-1-amine
CID 155034701

Frequently Asked Questions

What is the IUPAC name of N-[7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)-9,9-dimethylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine?
The IUPAC name of N-[7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)-9,9-dimethylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine (CID 163517639) is N-[7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)-9,9-dimethylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine.
What is the SMILES notation for N-[7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)-9,9-dimethylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine?
The canonical SMILES for N-[7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)-9,9-dimethylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine is CC1(C)c2cc(-c3cccc4c5cccc6c7ccccc7n(c34)c65)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3c3ccccc3n4-c3ccccc3)cc21.
What is the InChIKey of N-[7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)-9,9-dimethylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine?
The InChIKey is DICSGAKKPIMVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H43N3/c1-63(2)54-38-42(46-22-13-24-51-52-25-14-23-50-49-20-9-11-26-56(49)66(61(46)51)62(50)52)32-36-47(54)48-37-35-45(39-55(48)63)64(44-33-30-41(31-34-44)40-16-5-3-6-17-40)58-28-15-29-59-60(58)53-21-10-12-27-57(53)65(59)43-18-7-4-8-19-43/h3-39H,1-2H3.
What are the key properties of N-[7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)-9,9-dimethylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine?
N-[7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)-9,9-dimethylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine has a molecular weight of 842.06 g/mol, XLogP of 17.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)-9,9-dimethylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine is sourced from PubChem (CID 163517639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).