4-[9-[4-[3,6-bis[4-(N-phenylanilino)phenyl]carbazol-9-yl]-2,5-bis(2-ethylhexyl)phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline

C118H104N6 — CID 101423790

IUPAC4-[9-[4-[3,6-bis[4-(N-phenylanilino)phenyl]carbazol-9-yl]-2,5-bis(2-ethylhexyl)phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline
SMILESCCCCC(CC)Cc1cc(-n2c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3c3cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc32)c(CC(CC)CCCC)cc1-n1c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc21
InChIInChI=1S/C118H104N6/c1-5-9-35-85(7-3)77-95-83-118(124-115-75-63-93(89-57-69-107(70-58-89)121(101-45-27-15-28-46-101)102-47-29-16-30-48-102)81-111(115)112-82-94(64-76-116(112)124)90-59-71-108(72-60-90)122(103-49-31-17-32-50-103)104-51-33-18-34-52-104)96(78-86(8-4)36-10-6-2)84-117(95)123-113-73-61-91(87-53-65-105(66-54-87)119(97-37-19-11-20-38-97)98-39-21-12-22-40-98)79-109(113)110-80-92(62-74-114(110)123)88-55-67-106(68-56-88)120(99-41-23-13-24-42-99)100-43-25-14-26-44-100/h11-34,37-76,79-86H,5-10,35-36,77-78H2,1-4H3
InChIKeyGSZVRAQADZVHTE-UHFFFAOYSA-N
MW1606.17 g/mol
LogP33.95
Rot. Bonds30

About 4-[9-[4-[3,6-bis[4-(N-phenylanilino)phenyl]carbazol-9-yl]-2,5-bis(2-ethylhexyl)phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline

4-[9-[4-[3,6-bis[4-(N-phenylanilino)phenyl]carbazol-9-yl]-2,5-bis(2-ethylhexyl)phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline (PubChem CID 101423790) has the molecular formula C118H104N6 and a molecular weight of 1606.17 g/mol. Its IUPAC name is 4-[9-[4-[3,6-bis[4-(N-phenylanilino)phenyl]carbazol-9-yl]-2,5-bis(2-ethylhexyl)phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[9-[4-[3,6-bis[4-(N-phenylanilino)phenyl]carbazol-9-yl]-2,5-bis(2-ethylhexyl)phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline
PubChem CID101423790
Molecular FormulaC118H104N6
Molecular Weight1606.17 g/mol
Exact Mass1604.83
IUPAC Name4-[9-[4-[3,6-bis[4-(N-phenylanilino)phenyl]carbazol-9-yl]-2,5-bis(2-ethylhexyl)phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline
SMILESCCCCC(CC)Cc1cc(-n2c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3c3cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc32)c(CC(CC)CCCC)cc1-n1c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc21
InChIInChI=1S/C118H104N6/c1-5-9-35-85(7-3)77-95-83-118(124-115-75-63-93(89-57-69-107(70-58-89)121(101-45-27-15-28-46-101)102-47-29-16-30-48-102)81-111(115)112-82-94(64-76-116(112)124)90-59-71-108(72-60-90)122(103-49-31-17-32-50-103)104-51-33-18-34-52-104)96(78-86(8-4)36-10-6-2)84-117(95)123-113-73-61-91(87-53-65-105(66-54-87)119(97-37-19-11-20-38-97)98-39-21-12-22-40-98)79-109(113)110-80-92(62-74-114(110)123)88-55-67-106(68-56-88)120(99-41-23-13-24-42-99)100-43-25-14-26-44-100/h11-34,37-76,79-86H,5-10,35-36,77-78H2,1-4H3
InChIKeyGSZVRAQADZVHTE-UHFFFAOYSA-N
XLogP33.95
TPSA22.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds30
Heavy Atoms124
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001606.17
LogP ≤ 533.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[9-[4-[3,6-bis[4-(N-phenylanilino)phenyl]carbazol-9-yl]-2,5-bis(2-ethylhexyl)phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[9-[4-[3,6-bis[4-(N-phenylanilino)phenyl]carbazol-9-yl]-2,5-bis(2-ethylhexyl)phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[9-[4-[3,6-bis[4-(N-phenylanilino)phenyl]carbazol-9-yl]-2,5-bis(2-ethylhexyl)phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline (CID 101423790) is 4-[9-[4-[3,6-bis[4-(N-phenylanilino)phenyl]carbazol-9-yl]-2,5-bis(2-ethylhexyl)phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[9-[4-[3,6-bis[4-(N-phenylanilino)phenyl]carbazol-9-yl]-2,5-bis(2-ethylhexyl)phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[9-[4-[3,6-bis[4-(N-phenylanilino)phenyl]carbazol-9-yl]-2,5-bis(2-ethylhexyl)phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline is CCCCC(CC)Cc1cc(-n2c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3c3cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc32)c(CC(CC)CCCC)cc1-n1c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc21.
What is the InChIKey of 4-[9-[4-[3,6-bis[4-(N-phenylanilino)phenyl]carbazol-9-yl]-2,5-bis(2-ethylhexyl)phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline?
The InChIKey is GSZVRAQADZVHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C118H104N6/c1-5-9-35-85(7-3)77-95-83-118(124-115-75-63-93(89-57-69-107(70-58-89)121(101-45-27-15-28-46-101)102-47-29-16-30-48-102)81-111(115)112-82-94(64-76-116(112)124)90-59-71-108(72-60-90)122(103-49-31-17-32-50-103)104-51-33-18-34-52-104)96(78-86(8-4)36-10-6-2)84-117(95)123-113-73-61-91(87-53-65-105(66-54-87)119(97-37-19-11-20-38-97)98-39-21-12-22-40-98)79-109(113)110-80-92(62-74-114(110)123)88-55-67-106(68-56-88)120(99-41-23-13-24-42-99)100-43-25-14-26-44-100/h11-34,37-76,79-86H,5-10,35-36,77-78H2,1-4H3.
What are the key properties of 4-[9-[4-[3,6-bis[4-(N-phenylanilino)phenyl]carbazol-9-yl]-2,5-bis(2-ethylhexyl)phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline?
4-[9-[4-[3,6-bis[4-(N-phenylanilino)phenyl]carbazol-9-yl]-2,5-bis(2-ethylhexyl)phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline has a molecular weight of 1606.17 g/mol, XLogP of 33.95, 30 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-[4-[3,6-bis[4-(N-phenylanilino)phenyl]carbazol-9-yl]-2,5-bis(2-ethylhexyl)phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline is sourced from PubChem (CID 101423790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).