1-N,3-N,5-N-triphenyl-5-N-[9-phenyl-6-(4-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-1-N,3-N-bis[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine

C114H80N6 — CID 89234982

IUPAC1-N,3-N,5-N-triphenyl-5-N-[9-phenyl-6-(4-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-1-N,3-N-bis[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine
SMILESC1=CC2C(C=C1c1ccc(-c3ccccc3)cc1)c1cc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccc5c(c4)c4cc(-c6ccc(-c7ccccc7)cc6)ccc4n5-c4ccccc4)cc(N(c4ccccc4)c4ccc5c(c4)c4cc(-c6ccc(-c7ccccc7)cc6)ccc4n5-c4ccccc4)c3)ccc1N2c1ccccc1
InChIInChI=1S/C114H80N6/c1-10-28-79(29-11-1)82-46-52-85(53-47-82)88-58-64-109-103(70-88)106-76-97(61-67-112(106)118(109)94-40-22-7-23-41-94)115(91-34-16-4-17-35-91)100-73-101(116(92-36-18-5-19-37-92)98-62-68-113-107(77-98)104-71-89(59-65-110(104)119(113)95-42-24-8-25-43-95)86-54-48-83(49-55-86)80-30-12-2-13-31-80)75-102(74-100)117(93-38-20-6-21-39-93)99-63-69-114-108(78-99)105-72-90(60-66-111(105)120(114)96-44-26-9-27-45-96)87-56-50-84(51-57-87)81-32-14-3-15-33-81/h1-78,103,109H
InChIKeyAOIZLJMIECCPPL-UHFFFAOYSA-N
MW1533.94 g/mol
LogP30.88
Rot. Bonds18

About 1-N,3-N,5-N-triphenyl-5-N-[9-phenyl-6-(4-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-1-N,3-N-bis[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine

1-N,3-N,5-N-triphenyl-5-N-[9-phenyl-6-(4-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-1-N,3-N-bis[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine (PubChem CID 89234982) has the molecular formula C114H80N6 and a molecular weight of 1533.94 g/mol. Its IUPAC name is 1-N,3-N,5-N-triphenyl-5-N-[9-phenyl-6-(4-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-1-N,3-N-bis[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine.

Molecular Properties

Compound Name1-N,3-N,5-N-triphenyl-5-N-[9-phenyl-6-(4-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-1-N,3-N-bis[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine
PubChem CID89234982
Molecular FormulaC114H80N6
Molecular Weight1533.94 g/mol
Exact Mass1532.64
IUPAC Name1-N,3-N,5-N-triphenyl-5-N-[9-phenyl-6-(4-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-1-N,3-N-bis[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine
SMILESC1=CC2C(C=C1c1ccc(-c3ccccc3)cc1)c1cc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccc5c(c4)c4cc(-c6ccc(-c7ccccc7)cc6)ccc4n5-c4ccccc4)cc(N(c4ccccc4)c4ccc5c(c4)c4cc(-c6ccc(-c7ccccc7)cc6)ccc4n5-c4ccccc4)c3)ccc1N2c1ccccc1
InChIInChI=1S/C114H80N6/c1-10-28-79(29-11-1)82-46-52-85(53-47-82)88-58-64-109-103(70-88)106-76-97(61-67-112(106)118(109)94-40-22-7-23-41-94)115(91-34-16-4-17-35-91)100-73-101(116(92-36-18-5-19-37-92)98-62-68-113-107(77-98)104-71-89(59-65-110(104)119(113)95-42-24-8-25-43-95)86-54-48-83(49-55-86)80-30-12-2-13-31-80)75-102(74-100)117(93-38-20-6-21-39-93)99-63-69-114-108(78-99)105-72-90(60-66-111(105)120(114)96-44-26-9-27-45-96)87-56-50-84(51-57-87)81-32-14-3-15-33-81/h1-78,103,109H
InChIKeyAOIZLJMIECCPPL-UHFFFAOYSA-N
XLogP30.88
TPSA22.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001533.94
LogP ≤ 530.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-N,3-N,5-N-triphenyl-5-N-[9-phenyl-6-(4-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-1-N,3-N-bis[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine with MolForge

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Related Compounds

5-N-(6,9-diphenyl-4b,8a-dihydrocarbazol-3-yl)-1-N,3-N-bis(6,9-diphenylcarbazol-3-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 89235026
1-N,3-N-dinaphthalen-1-yl-3-N-[9-phenyl-6-(4-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-1-N-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine
CID 89030421
4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazol-3-yl]-6-phenyl-4a,9a-dihydrocarbazol-9-yl]-N,N-diphenylaniline
CID 88867268
5-N-[4-(3,6-dinaphthalen-1-yl-4a,9a-dihydrocarbazol-9-yl)phenyl]-1-N,3-N-bis[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 89235086
9-phenyl-3-[9-phenyl-6-(9-phenylcarbazol-3-yl)-4a,9a-dihydrocarbazol-3-yl]carbazole
CID 121475725
N,N,9-triphenyl-6-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-2-amine
CID 170278089
1-N-phenyl-4-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 89059839
N-[4-[9,9-dimethyl-7-(4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)fluoren-2-yl]phenyl]-9-phenyl-N-[4-[4-(N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 137443923
14-[6-[6-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-9-phenylcarbazol-3-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 89285749
3-[4-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4a,9a-dihydrocarbazol-9-yl]phenyl]-9-phenylcarbazole
CID 139456140
1-N,3-N-bis[4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 59816026
N,9-diphenyl-N-[4-[4-(N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-naphthalen-1-yl-N-[4-[4-[naphthalen-1-yl-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)amino]phenyl]phenyl]-9-phenylcarbazol-3-amine;N-[4-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 165019490

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N,5-N-triphenyl-5-N-[9-phenyl-6-(4-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-1-N,3-N-bis[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine?
The IUPAC name of 1-N,3-N,5-N-triphenyl-5-N-[9-phenyl-6-(4-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-1-N,3-N-bis[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine (CID 89234982) is 1-N,3-N,5-N-triphenyl-5-N-[9-phenyl-6-(4-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-1-N,3-N-bis[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine.
What is the SMILES notation for 1-N,3-N,5-N-triphenyl-5-N-[9-phenyl-6-(4-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-1-N,3-N-bis[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine?
The canonical SMILES for 1-N,3-N,5-N-triphenyl-5-N-[9-phenyl-6-(4-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-1-N,3-N-bis[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine is C1=CC2C(C=C1c1ccc(-c3ccccc3)cc1)c1cc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccc5c(c4)c4cc(-c6ccc(-c7ccccc7)cc6)ccc4n5-c4ccccc4)cc(N(c4ccccc4)c4ccc5c(c4)c4cc(-c6ccc(-c7ccccc7)cc6)ccc4n5-c4ccccc4)c3)ccc1N2c1ccccc1.
What is the InChIKey of 1-N,3-N,5-N-triphenyl-5-N-[9-phenyl-6-(4-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-1-N,3-N-bis[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine?
The InChIKey is AOIZLJMIECCPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C114H80N6/c1-10-28-79(29-11-1)82-46-52-85(53-47-82)88-58-64-109-103(70-88)106-76-97(61-67-112(106)118(109)94-40-22-7-23-41-94)115(91-34-16-4-17-35-91)100-73-101(116(92-36-18-5-19-37-92)98-62-68-113-107(77-98)104-71-89(59-65-110(104)119(113)95-42-24-8-25-43-95)86-54-48-83(49-55-86)80-30-12-2-13-31-80)75-102(74-100)117(93-38-20-6-21-39-93)99-63-69-114-108(78-99)105-72-90(60-66-111(105)120(114)96-44-26-9-27-45-96)87-56-50-84(51-57-87)81-32-14-3-15-33-81/h1-78,103,109H.
What are the key properties of 1-N,3-N,5-N-triphenyl-5-N-[9-phenyl-6-(4-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-1-N,3-N-bis[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine?
1-N,3-N,5-N-triphenyl-5-N-[9-phenyl-6-(4-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-1-N,3-N-bis[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine has a molecular weight of 1533.94 g/mol, XLogP of 30.88, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N,5-N-triphenyl-5-N-[9-phenyl-6-(4-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-1-N,3-N-bis[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine is sourced from PubChem (CID 89234982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).