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

C138H92N6 — CID 89235086

IUPAC5-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
SMILESC1=CC2C(C=C1c1cccc3ccccc13)c1cc(-c3cccc4ccccc34)ccc1N2c1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccc(-n4c5ccc(-c6cccc7ccccc67)cc5c5cc(-c6cccc7ccccc67)ccc54)cc3)cc(N(c3ccccc3)c3ccc(-n4c5ccc(-c6cccc7ccccc67)cc5c5cc(-c6cccc7ccccc67)ccc54)cc3)c2)cc1
InChIInChI=1S/C138H92N6/c1-4-40-103(41-5-1)139(106-64-70-109(71-65-106)142-133-76-58-97(121-52-22-34-91-28-10-16-46-115(91)121)82-127(133)128-83-98(59-77-134(128)142)122-53-23-35-92-29-11-17-47-116(92)122)112-88-113(140(104-42-6-2-7-43-104)107-66-72-110(73-67-107)143-135-78-60-99(123-54-24-36-93-30-12-18-48-117(93)123)84-129(135)130-85-100(61-79-136(130)143)124-55-25-37-94-31-13-19-49-118(94)124)90-114(89-112)141(105-44-8-3-9-45-105)108-68-74-111(75-69-108)144-137-80-62-101(125-56-26-38-95-32-14-20-50-119(95)125)86-131(137)132-87-102(63-81-138(132)144)126-57-27-39-96-33-15-21-51-120(96)126/h1-90,127,133H
InChIKeyGSJNQAFHYNKLOL-UHFFFAOYSA-N
MW1834.30 g/mol
LogP37.80
Rot. Bonds18

About 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

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 (PubChem CID 89235086) has the molecular formula C138H92N6 and a molecular weight of 1834.30 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID89235086
Molecular FormulaC138H92N6
Molecular Weight1834.30 g/mol
Exact Mass1832.74
IUPAC Name5-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
SMILESC1=CC2C(C=C1c1cccc3ccccc13)c1cc(-c3cccc4ccccc34)ccc1N2c1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccc(-n4c5ccc(-c6cccc7ccccc67)cc5c5cc(-c6cccc7ccccc67)ccc54)cc3)cc(N(c3ccccc3)c3ccc(-n4c5ccc(-c6cccc7ccccc67)cc5c5cc(-c6cccc7ccccc67)ccc54)cc3)c2)cc1
InChIInChI=1S/C138H92N6/c1-4-40-103(41-5-1)139(106-64-70-109(71-65-106)142-133-76-58-97(121-52-22-34-91-28-10-16-46-115(91)121)82-127(133)128-83-98(59-77-134(128)142)122-53-23-35-92-29-11-17-47-116(92)122)112-88-113(140(104-42-6-2-7-43-104)107-66-72-110(73-67-107)143-135-78-60-99(123-54-24-36-93-30-12-18-48-117(93)123)84-129(135)130-85-100(61-79-136(130)143)124-55-25-37-94-31-13-19-49-118(94)124)90-114(89-112)141(105-44-8-3-9-45-105)108-68-74-111(75-69-108)144-137-80-62-101(125-56-26-38-95-32-14-20-50-119(95)125)86-131(137)132-87-102(63-81-138(132)144)126-57-27-39-96-33-15-21-51-120(96)126/h1-90,127,133H
InChIKeyGSJNQAFHYNKLOL-UHFFFAOYSA-N
XLogP37.80
TPSA22.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms144
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001834.30
LogP ≤ 537.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
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-(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
9-phenyl-3-[9-phenyl-6-(9-phenylcarbazol-3-yl)-4a,9a-dihydrocarbazol-3-yl]carbazole
CID 121475725
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
6-naphthalen-1-yl-N-[4-[10-[4-(N-(6-naphthalen-1-yl-9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 59010589
1-N,3-N,5-N-trinaphthalen-1-yl-1-N,3-N,5-N-tris[9-naphthalen-1-yl-6-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine;1-N,3-N,5-N-tris(6-naphthalen-1-yl-9-phenylcarbazol-3-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 158550618
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
5,9-diphenyl-3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazole
CID 174252041
N-(4-carbazol-9-ylphenyl)-3-naphthalen-1-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501687

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=CC2C(C=C1c1cccc3ccccc13)c1cc(-c3cccc4ccccc34)ccc1N2c1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccc(-n4c5ccc(-c6cccc7ccccc67)cc5c5cc(-c6cccc7ccccc67)ccc54)cc3)cc(N(c3ccccc3)c3ccc(-n4c5ccc(-c6cccc7ccccc67)cc5c5cc(-c6cccc7ccccc67)ccc54)cc3)c2)cc1.
What is the InChIKey of 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?
The InChIKey is GSJNQAFHYNKLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C138H92N6/c1-4-40-103(41-5-1)139(106-64-70-109(71-65-106)142-133-76-58-97(121-52-22-34-91-28-10-16-46-115(91)121)82-127(133)128-83-98(59-77-134(128)142)122-53-23-35-92-29-11-17-47-116(92)122)112-88-113(140(104-42-6-2-7-43-104)107-66-72-110(73-67-107)143-135-78-60-99(123-54-24-36-93-30-12-18-48-117(93)123)84-129(135)130-85-100(61-79-136(130)143)124-55-25-37-94-31-13-19-49-118(94)124)90-114(89-112)141(105-44-8-3-9-45-105)108-68-74-111(75-69-108)144-137-80-62-101(125-56-26-38-95-32-14-20-50-119(95)125)86-131(137)132-87-102(63-81-138(132)144)126-57-27-39-96-33-15-21-51-120(96)126/h1-90,127,133H.
What are the key properties of 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?
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 has a molecular weight of 1834.30 g/mol, XLogP of 37.80, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 89235086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).