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

C86H60N4 — CID 89030421

IUPAC1-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
SMILESC1=CC2C(C=C1c1ccc(-c3ccccc3)cc1)c1cc(N(c3cccc(N(c4ccc5c(c4)c4cc(-c6ccc(-c7ccccc7)cc6)ccc4n5-c4ccccc4)c4cccc5ccccc45)c3)c3cccc4ccccc34)ccc1N2c1ccccc1
InChIInChI=1S/C86H60N4/c1-5-20-59(21-6-1)61-38-42-63(43-39-61)67-46-50-83-77(54-67)79-57-73(48-52-85(79)89(83)69-28-9-3-10-29-69)87(81-36-17-26-65-24-13-15-34-75(65)81)71-32-19-33-72(56-71)88(82-37-18-27-66-25-14-16-35-76(66)82)74-49-53-86-80(58-74)78-55-68(47-51-84(78)90(86)70-30-11-4-12-31-70)64-44-40-62(41-45-64)60-22-7-2-8-23-60/h1-58,77,83H
InChIKeyVTUJWXKDAKWOQW-UHFFFAOYSA-N
MW1149.45 g/mol
LogP23.29
Rot. Bonds12

About 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

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 (PubChem CID 89030421) has the molecular formula C86H60N4 and a molecular weight of 1149.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID89030421
Molecular FormulaC86H60N4
Molecular Weight1149.45 g/mol
Exact Mass1148.48
IUPAC Name1-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
SMILESC1=CC2C(C=C1c1ccc(-c3ccccc3)cc1)c1cc(N(c3cccc(N(c4ccc5c(c4)c4cc(-c6ccc(-c7ccccc7)cc6)ccc4n5-c4ccccc4)c4cccc5ccccc45)c3)c3cccc4ccccc34)ccc1N2c1ccccc1
InChIInChI=1S/C86H60N4/c1-5-20-59(21-6-1)61-38-42-63(43-39-61)67-46-50-83-77(54-67)79-57-73(48-52-85(79)89(83)69-28-9-3-10-29-69)87(81-36-17-26-65-24-13-15-34-75(65)81)71-32-19-33-72(56-71)88(82-37-18-27-66-25-14-16-35-76(66)82)74-49-53-86-80(58-74)78-55-68(47-51-84(78)90(86)70-30-11-4-12-31-70)64-44-40-62(41-45-64)60-22-7-2-8-23-60/h1-58,77,83H
InChIKeyVTUJWXKDAKWOQW-UHFFFAOYSA-N
XLogP23.29
TPSA14.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001149.45
LogP ≤ 523.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 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,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
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
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
N-naphthalen-1-yl-9-phenyl-6-(4-phenylphenyl)-N-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]carbazol-3-amine
CID 59132923
9-phenyl-3-[9-phenyl-6-(9-phenylcarbazol-3-yl)-4a,9a-dihydrocarbazol-3-yl]carbazole
CID 121475725
1-N,3-N,5-N-tris[6,9-bis(4-phenylphenyl)carbazol-3-yl]-1-N,3-N-dinaphthalen-1-yl-5-N-phenylbenzene-1,3,5-triamine
CID 88673324
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)naphthalen-1-yl]-1-N,3-N-bis[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)naphthalen-1-yl]-1-N,3-N,5-N-trinaphthalen-1-ylbenzene-1,3,5-triamine
CID 89235030
N,N,9-triphenyl-6-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-2-amine
CID 170278089
N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 67472370
3-N,6-N-dinaphthalen-1-yl-3-N,6-N-bis(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole-3,6-diamine
CID 59132913

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=CC2C(C=C1c1ccc(-c3ccccc3)cc1)c1cc(N(c3cccc(N(c4ccc5c(c4)c4cc(-c6ccc(-c7ccccc7)cc6)ccc4n5-c4ccccc4)c4cccc5ccccc45)c3)c3cccc4ccccc34)ccc1N2c1ccccc1.
What is the InChIKey of 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?
The InChIKey is VTUJWXKDAKWOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H60N4/c1-5-20-59(21-6-1)61-38-42-63(43-39-61)67-46-50-83-77(54-67)79-57-73(48-52-85(79)89(83)69-28-9-3-10-29-69)87(81-36-17-26-65-24-13-15-34-75(65)81)71-32-19-33-72(56-71)88(82-37-18-27-66-25-14-16-35-76(66)82)74-49-53-86-80(58-74)78-55-68(47-51-84(78)90(86)70-30-11-4-12-31-70)64-44-40-62(41-45-64)60-22-7-2-8-23-60/h1-58,77,83H.
What are the key properties of 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?
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 has a molecular weight of 1149.45 g/mol, XLogP of 23.29, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 89030421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).