1-N-(4-carbazol-9-ylphenyl)-4-N,4-N-bis[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-3-ylanilino)phenyl]-1-N-(4-dibenzofuran-3-ylphenyl)benzene-1,4-diamine

C126H81N7O3 — CID 88590509

IUPAC1-N-(4-carbazol-9-ylphenyl)-4-N,4-N-bis[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-3-ylanilino)phenyl]-1-N-(4-dibenzofuran-3-ylphenyl)benzene-1,4-diamine
SMILESc1ccc2c(c1)oc1cc(-c3ccc(N(c4ccc(N(c5ccc(N(c6ccc(-c7ccc8c(c7)oc7ccccc78)cc6)c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)c5ccc(N(c6ccc(-c7ccc8c(c7)oc7ccccc78)cc6)c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)cc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)ccc12
InChIInChI=1S/C126H81N7O3/c1-10-28-115-103(19-1)104-20-2-11-29-116(104)131(115)100-70-64-97(65-71-100)127(88-46-37-82(38-47-88)85-43-76-112-109-25-7-16-34-121(109)134-124(112)79-85)91-52-58-94(59-53-91)130(95-60-54-92(55-61-95)128(89-48-39-83(40-49-89)86-44-77-113-110-26-8-17-35-122(110)135-125(113)80-86)98-66-72-101(73-67-98)132-117-30-12-3-21-105(117)106-22-4-13-31-118(106)132)96-62-56-93(57-63-96)129(90-50-41-84(42-51-90)87-45-78-114-111-27-9-18-36-123(111)136-126(114)81-87)99-68-74-102(75-69-99)133-119-32-14-5-23-107(119)108-24-6-15-33-120(108)133/h1-81H
InChIKeyRWYUULRHOAUOAO-UHFFFAOYSA-N
MW1741.08 g/mol
LogP35.56
Rot. Bonds18

About 1-N-(4-carbazol-9-ylphenyl)-4-N,4-N-bis[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-3-ylanilino)phenyl]-1-N-(4-dibenzofuran-3-ylphenyl)benzene-1,4-diamine

1-N-(4-carbazol-9-ylphenyl)-4-N,4-N-bis[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-3-ylanilino)phenyl]-1-N-(4-dibenzofuran-3-ylphenyl)benzene-1,4-diamine (PubChem CID 88590509) has the molecular formula C126H81N7O3 and a molecular weight of 1741.08 g/mol. Its IUPAC name is 1-N-(4-carbazol-9-ylphenyl)-4-N,4-N-bis[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-3-ylanilino)phenyl]-1-N-(4-dibenzofuran-3-ylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(4-carbazol-9-ylphenyl)-4-N,4-N-bis[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-3-ylanilino)phenyl]-1-N-(4-dibenzofuran-3-ylphenyl)benzene-1,4-diamine
PubChem CID88590509
Molecular FormulaC126H81N7O3
Molecular Weight1741.08 g/mol
Exact Mass1739.64
IUPAC Name1-N-(4-carbazol-9-ylphenyl)-4-N,4-N-bis[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-3-ylanilino)phenyl]-1-N-(4-dibenzofuran-3-ylphenyl)benzene-1,4-diamine
SMILESc1ccc2c(c1)oc1cc(-c3ccc(N(c4ccc(N(c5ccc(N(c6ccc(-c7ccc8c(c7)oc7ccccc78)cc6)c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)c5ccc(N(c6ccc(-c7ccc8c(c7)oc7ccccc78)cc6)c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)cc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)ccc12
InChIInChI=1S/C126H81N7O3/c1-10-28-115-103(19-1)104-20-2-11-29-116(104)131(115)100-70-64-97(65-71-100)127(88-46-37-82(38-47-88)85-43-76-112-109-25-7-16-34-121(109)134-124(112)79-85)91-52-58-94(59-53-91)130(95-60-54-92(55-61-95)128(89-48-39-83(40-49-89)86-44-77-113-110-26-8-17-35-122(110)135-125(113)80-86)98-66-72-101(73-67-98)132-117-30-12-3-21-105(117)106-22-4-13-31-118(106)132)96-62-56-93(57-63-96)129(90-50-41-84(42-51-90)87-45-78-114-111-27-9-18-36-123(111)136-126(114)81-87)99-68-74-102(75-69-99)133-119-32-14-5-23-107(119)108-24-6-15-33-120(108)133/h1-81H
InChIKeyRWYUULRHOAUOAO-UHFFFAOYSA-N
XLogP35.56
TPSA67.17 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms136
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001741.08
LogP ≤ 535.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-N-(4-carbazol-9-ylphenyl)-4-N,4-N-bis[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-3-ylanilino)phenyl]-1-N-(4-dibenzofuran-3-ylphenyl)benzene-1,4-diamine with MolForge

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Related Compounds

4-N-(4-carbazol-9-ylphenyl)-1-N-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-3-ylanilino)phenyl]-1-N-[4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-3-ylanilino)phenyl]phenyl]-4-N-(4-dibenzofuran-3-ylphenyl)benzene-1,4-diamine;methane
CID 158188840
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-phenylaniline
CID 147432395
N-(4-dibenzofuran-3-ylphenyl)-N-phenyl-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 90376825
N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 131972152
4-[4-(4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)anilino)phenyl]-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline
CID 58510759
N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)aniline
CID 118188151
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-(4-phenylphenyl)aniline
CID 148685552
N-dibenzofuran-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine
CID 168814816
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 153314610
N-(4-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 146578329
N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-(4-phenylphenyl)aniline
CID 153314608
4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170379960

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-carbazol-9-ylphenyl)-4-N,4-N-bis[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-3-ylanilino)phenyl]-1-N-(4-dibenzofuran-3-ylphenyl)benzene-1,4-diamine?
The IUPAC name of 1-N-(4-carbazol-9-ylphenyl)-4-N,4-N-bis[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-3-ylanilino)phenyl]-1-N-(4-dibenzofuran-3-ylphenyl)benzene-1,4-diamine (CID 88590509) is 1-N-(4-carbazol-9-ylphenyl)-4-N,4-N-bis[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-3-ylanilino)phenyl]-1-N-(4-dibenzofuran-3-ylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-(4-carbazol-9-ylphenyl)-4-N,4-N-bis[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-3-ylanilino)phenyl]-1-N-(4-dibenzofuran-3-ylphenyl)benzene-1,4-diamine?
The canonical SMILES for 1-N-(4-carbazol-9-ylphenyl)-4-N,4-N-bis[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-3-ylanilino)phenyl]-1-N-(4-dibenzofuran-3-ylphenyl)benzene-1,4-diamine is c1ccc2c(c1)oc1cc(-c3ccc(N(c4ccc(N(c5ccc(N(c6ccc(-c7ccc8c(c7)oc7ccccc78)cc6)c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)c5ccc(N(c6ccc(-c7ccc8c(c7)oc7ccccc78)cc6)c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)cc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)ccc12.
What is the InChIKey of 1-N-(4-carbazol-9-ylphenyl)-4-N,4-N-bis[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-3-ylanilino)phenyl]-1-N-(4-dibenzofuran-3-ylphenyl)benzene-1,4-diamine?
The InChIKey is RWYUULRHOAUOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C126H81N7O3/c1-10-28-115-103(19-1)104-20-2-11-29-116(104)131(115)100-70-64-97(65-71-100)127(88-46-37-82(38-47-88)85-43-76-112-109-25-7-16-34-121(109)134-124(112)79-85)91-52-58-94(59-53-91)130(95-60-54-92(55-61-95)128(89-48-39-83(40-49-89)86-44-77-113-110-26-8-17-35-122(110)135-125(113)80-86)98-66-72-101(73-67-98)132-117-30-12-3-21-105(117)106-22-4-13-31-118(106)132)96-62-56-93(57-63-96)129(90-50-41-84(42-51-90)87-45-78-114-111-27-9-18-36-123(111)136-126(114)81-87)99-68-74-102(75-69-99)133-119-32-14-5-23-107(119)108-24-6-15-33-120(108)133/h1-81H.
What are the key properties of 1-N-(4-carbazol-9-ylphenyl)-4-N,4-N-bis[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-3-ylanilino)phenyl]-1-N-(4-dibenzofuran-3-ylphenyl)benzene-1,4-diamine?
1-N-(4-carbazol-9-ylphenyl)-4-N,4-N-bis[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-3-ylanilino)phenyl]-1-N-(4-dibenzofuran-3-ylphenyl)benzene-1,4-diamine has a molecular weight of 1741.08 g/mol, XLogP of 35.56, 18 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-carbazol-9-ylphenyl)-4-N,4-N-bis[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-3-ylanilino)phenyl]-1-N-(4-dibenzofuran-3-ylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 88590509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).