1-N-phenyl-1-N-[4-[9-phenyl-6-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]-4-N,4-N-bis[4-(N-[4-[9-phenyl-6-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]anilino)phenyl]benzene-1,4-diamine

C156H105N7S3 — CID 118402477

IUPAC1-N-phenyl-1-N-[4-[9-phenyl-6-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]-4-N,4-N-bis[4-(N-[4-[9-phenyl-6-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]anilino)phenyl]benzene-1,4-diamine
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc5c(c4)c4cc(-c6ccc(N(c7ccccc7)c7ccc(N(c8ccc(N(c9ccccc9)c9ccc(-c%10ccc%11c(c%10)c%10cc(-c%12ccc(-c%13ccc(-c%14ccccc%14)s%13)cc%12)ccc%10n%11-c%10ccccc%10)cc9)cc8)c8ccc(N(c9ccccc9)c9ccc(-c%10ccc%11c(c%10)c%10cc(-c%12ccc(-c%13ccc(-c%14ccccc%14)s%13)cc%12)ccc%10n%11-c%10ccccc%10)cc9)cc8)cc7)cc6)ccc4n5-c4ccccc4)cc3)s2)cc1
InChIInChI=1S/C156H105N7S3/c1-10-28-112(29-11-1)151-94-97-154(164-151)115-52-46-106(47-53-115)118-64-88-145-139(100-118)142-103-121(67-91-148(142)161(145)127-40-22-7-23-41-127)109-58-70-130(71-59-109)157(124-34-16-4-17-35-124)133-76-82-136(83-77-133)160(137-84-78-134(79-85-137)158(125-36-18-5-19-37-125)131-72-60-110(61-73-131)122-68-92-149-143(104-122)140-101-119(65-89-146(140)162(149)128-42-24-8-25-43-128)107-48-54-116(55-49-107)155-98-95-152(165-155)113-30-12-2-13-31-113)138-86-80-135(81-87-138)159(126-38-20-6-21-39-126)132-74-62-111(63-75-132)123-69-93-150-144(105-123)141-102-120(66-90-147(141)163(150)129-44-26-9-27-45-129)108-50-56-117(57-51-108)156-99-96-153(166-156)114-32-14-3-15-33-114/h1-105H
InChIKeyPBVOQCFNRATXCV-UHFFFAOYSA-N
MW2173.81 g/mol
LogP45.05
Rot. Bonds27

About 1-N-phenyl-1-N-[4-[9-phenyl-6-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]-4-N,4-N-bis[4-(N-[4-[9-phenyl-6-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]anilino)phenyl]benzene-1,4-diamine

1-N-phenyl-1-N-[4-[9-phenyl-6-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]-4-N,4-N-bis[4-(N-[4-[9-phenyl-6-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]anilino)phenyl]benzene-1,4-diamine (PubChem CID 118402477) has the molecular formula C156H105N7S3 and a molecular weight of 2173.81 g/mol. Its IUPAC name is 1-N-phenyl-1-N-[4-[9-phenyl-6-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]-4-N,4-N-bis[4-(N-[4-[9-phenyl-6-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]anilino)phenyl]benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-phenyl-1-N-[4-[9-phenyl-6-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]-4-N,4-N-bis[4-(N-[4-[9-phenyl-6-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]anilino)phenyl]benzene-1,4-diamine
PubChem CID118402477
Molecular FormulaC156H105N7S3
Molecular Weight2173.81 g/mol
Exact Mass2171.76
IUPAC Name1-N-phenyl-1-N-[4-[9-phenyl-6-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]-4-N,4-N-bis[4-(N-[4-[9-phenyl-6-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]anilino)phenyl]benzene-1,4-diamine
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc5c(c4)c4cc(-c6ccc(N(c7ccccc7)c7ccc(N(c8ccc(N(c9ccccc9)c9ccc(-c%10ccc%11c(c%10)c%10cc(-c%12ccc(-c%13ccc(-c%14ccccc%14)s%13)cc%12)ccc%10n%11-c%10ccccc%10)cc9)cc8)c8ccc(N(c9ccccc9)c9ccc(-c%10ccc%11c(c%10)c%10cc(-c%12ccc(-c%13ccc(-c%14ccccc%14)s%13)cc%12)ccc%10n%11-c%10ccccc%10)cc9)cc8)cc7)cc6)ccc4n5-c4ccccc4)cc3)s2)cc1
InChIInChI=1S/C156H105N7S3/c1-10-28-112(29-11-1)151-94-97-154(164-151)115-52-46-106(47-53-115)118-64-88-145-139(100-118)142-103-121(67-91-148(142)161(145)127-40-22-7-23-41-127)109-58-70-130(71-59-109)157(124-34-16-4-17-35-124)133-76-82-136(83-77-133)160(137-84-78-134(79-85-137)158(125-36-18-5-19-37-125)131-72-60-110(61-73-131)122-68-92-149-143(104-122)140-101-119(65-89-146(140)162(149)128-42-24-8-25-43-128)107-48-54-116(55-49-107)155-98-95-152(165-155)113-30-12-2-13-31-113)138-86-80-135(81-87-138)159(126-38-20-6-21-39-126)132-74-62-111(63-75-132)123-69-93-150-144(105-123)141-102-120(66-90-147(141)163(150)129-44-26-9-27-45-129)108-50-56-117(57-51-108)156-99-96-153(166-156)114-32-14-3-15-33-114/h1-105H
InChIKeyPBVOQCFNRATXCV-UHFFFAOYSA-N
XLogP45.05
TPSA27.75 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds27
Heavy Atoms166
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002173.81
LogP ≤ 545.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-N-phenyl-1-N-[4-[9-phenyl-6-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]-4-N,4-N-bis[4-(N-[4-[9-phenyl-6-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]anilino)phenyl]benzene-1,4-diamine with MolForge

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Related Compounds

N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[9-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]aniline
CID 71038551
4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(5-phenylthiophen-2-yl)-9-[3-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]aniline
CID 58281727
4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[3-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]aniline
CID 58281754
N-[4-[3-(6,9-diphenylcarbazol-3-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 59470021
N-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline
CID 122524703
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-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121312844
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
3-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161050252
3-N-(6,9-diphenylcarbazol-2-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 177275802
4-[2,3-diphenyl-1-(4-phenylphenyl)indol-5-yl]-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline
CID 58161036
1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 177275836

Frequently Asked Questions

What is the IUPAC name of 1-N-phenyl-1-N-[4-[9-phenyl-6-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]-4-N,4-N-bis[4-(N-[4-[9-phenyl-6-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]anilino)phenyl]benzene-1,4-diamine?
The IUPAC name of 1-N-phenyl-1-N-[4-[9-phenyl-6-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]-4-N,4-N-bis[4-(N-[4-[9-phenyl-6-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]anilino)phenyl]benzene-1,4-diamine (CID 118402477) is 1-N-phenyl-1-N-[4-[9-phenyl-6-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]-4-N,4-N-bis[4-(N-[4-[9-phenyl-6-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]anilino)phenyl]benzene-1,4-diamine.
What is the SMILES notation for 1-N-phenyl-1-N-[4-[9-phenyl-6-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]-4-N,4-N-bis[4-(N-[4-[9-phenyl-6-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]anilino)phenyl]benzene-1,4-diamine?
The canonical SMILES for 1-N-phenyl-1-N-[4-[9-phenyl-6-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]-4-N,4-N-bis[4-(N-[4-[9-phenyl-6-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]anilino)phenyl]benzene-1,4-diamine is c1ccc(-c2ccc(-c3ccc(-c4ccc5c(c4)c4cc(-c6ccc(N(c7ccccc7)c7ccc(N(c8ccc(N(c9ccccc9)c9ccc(-c%10ccc%11c(c%10)c%10cc(-c%12ccc(-c%13ccc(-c%14ccccc%14)s%13)cc%12)ccc%10n%11-c%10ccccc%10)cc9)cc8)c8ccc(N(c9ccccc9)c9ccc(-c%10ccc%11c(c%10)c%10cc(-c%12ccc(-c%13ccc(-c%14ccccc%14)s%13)cc%12)ccc%10n%11-c%10ccccc%10)cc9)cc8)cc7)cc6)ccc4n5-c4ccccc4)cc3)s2)cc1.
What is the InChIKey of 1-N-phenyl-1-N-[4-[9-phenyl-6-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]-4-N,4-N-bis[4-(N-[4-[9-phenyl-6-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]anilino)phenyl]benzene-1,4-diamine?
The InChIKey is PBVOQCFNRATXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C156H105N7S3/c1-10-28-112(29-11-1)151-94-97-154(164-151)115-52-46-106(47-53-115)118-64-88-145-139(100-118)142-103-121(67-91-148(142)161(145)127-40-22-7-23-41-127)109-58-70-130(71-59-109)157(124-34-16-4-17-35-124)133-76-82-136(83-77-133)160(137-84-78-134(79-85-137)158(125-36-18-5-19-37-125)131-72-60-110(61-73-131)122-68-92-149-143(104-122)140-101-119(65-89-146(140)162(149)128-42-24-8-25-43-128)107-48-54-116(55-49-107)155-98-95-152(165-155)113-30-12-2-13-31-113)138-86-80-135(81-87-138)159(126-38-20-6-21-39-126)132-74-62-111(63-75-132)123-69-93-150-144(105-123)141-102-120(66-90-147(141)163(150)129-44-26-9-27-45-129)108-50-56-117(57-51-108)156-99-96-153(166-156)114-32-14-3-15-33-114/h1-105H.
What are the key properties of 1-N-phenyl-1-N-[4-[9-phenyl-6-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]-4-N,4-N-bis[4-(N-[4-[9-phenyl-6-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]anilino)phenyl]benzene-1,4-diamine?
1-N-phenyl-1-N-[4-[9-phenyl-6-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]-4-N,4-N-bis[4-(N-[4-[9-phenyl-6-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]anilino)phenyl]benzene-1,4-diamine has a molecular weight of 2173.81 g/mol, XLogP of 45.05, 27 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-phenyl-1-N-[4-[9-phenyl-6-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]-4-N,4-N-bis[4-(N-[4-[9-phenyl-6-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]anilino)phenyl]benzene-1,4-diamine is sourced from PubChem (CID 118402477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).