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

C96H68N6 — CID 89235026

IUPAC5-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
SMILESC1=CC2C(C=C1c1ccccc1)c1cc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccccc4)cc(N(c4ccccc4)c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccccc4)c3)ccc1N2c1ccccc1
InChIInChI=1S/C96H68N6/c1-10-28-67(29-11-1)70-46-52-91-85(58-70)88-64-79(49-55-94(88)100(91)76-40-22-7-23-41-76)97(73-34-16-4-17-35-73)82-61-83(98(74-36-18-5-19-37-74)80-50-56-95-89(65-80)86-59-71(68-30-12-2-13-31-68)47-53-92(86)101(95)77-42-24-8-25-43-77)63-84(62-82)99(75-38-20-6-21-39-75)81-51-57-96-90(66-81)87-60-72(69-32-14-3-15-33-69)48-54-93(87)102(96)78-44-26-9-27-45-78/h1-66,85,91H
InChIKeyVRTGVRJPVVGUBA-UHFFFAOYSA-N
MW1305.64 g/mol
LogP25.88
Rot. Bonds15

About 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

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 (PubChem CID 89235026) has the molecular formula C96H68N6 and a molecular weight of 1305.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID89235026
Molecular FormulaC96H68N6
Molecular Weight1305.64 g/mol
Exact Mass1304.55
IUPAC Name5-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
SMILESC1=CC2C(C=C1c1ccccc1)c1cc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccccc4)cc(N(c4ccccc4)c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccccc4)c3)ccc1N2c1ccccc1
InChIInChI=1S/C96H68N6/c1-10-28-67(29-11-1)70-46-52-91-85(58-70)88-64-79(49-55-94(88)100(91)76-40-22-7-23-41-76)97(73-34-16-4-17-35-73)82-61-83(98(74-36-18-5-19-37-74)80-50-56-95-89(65-80)86-59-71(68-30-12-2-13-31-68)47-53-92(86)101(95)77-42-24-8-25-43-77)63-84(62-82)99(75-38-20-6-21-39-75)81-51-57-96-90(66-81)87-60-72(69-32-14-3-15-33-69)48-54-93(87)102(96)78-44-26-9-27-45-78/h1-66,85,91H
InChIKeyVRTGVRJPVVGUBA-UHFFFAOYSA-N
XLogP25.88
TPSA22.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001305.64
LogP ≤ 525.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=CC2C(C=C1c1ccccc1)c1cc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccccc4)cc(N(c4ccccc4)c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccccc4)c3)ccc1N2c1ccccc1.
What is the InChIKey of 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?
The InChIKey is VRTGVRJPVVGUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H68N6/c1-10-28-67(29-11-1)70-46-52-91-85(58-70)88-64-79(49-55-94(88)100(91)76-40-22-7-23-41-76)97(73-34-16-4-17-35-73)82-61-83(98(74-36-18-5-19-37-74)80-50-56-95-89(65-80)86-59-71(68-30-12-2-13-31-68)47-53-92(86)101(95)77-42-24-8-25-43-77)63-84(62-82)99(75-38-20-6-21-39-75)81-51-57-96-90(66-81)87-60-72(69-32-14-3-15-33-69)48-54-93(87)102(96)78-44-26-9-27-45-78/h1-66,85,91H.
What are the key properties of 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?
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 has a molecular weight of 1305.64 g/mol, XLogP of 25.88, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 89235026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).