1-N-[4-[4-[3-[4-[N-dibenzothiophen-3-yl-3-naphthalen-2-yl-5-(4-phenyl-N-(4-phenylphenyl)anilino)anilino]phenyl]phenyl]phenyl]phenyl]-5-naphthalen-2-yl-3-N-(9-phenylcarbazol-3-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine

C134H91N5S — CID 146664119

IUPAC1-N-[4-[4-[3-[4-[N-dibenzothiophen-3-yl-3-naphthalen-2-yl-5-(4-phenyl-N-(4-phenylphenyl)anilino)anilino]phenyl]phenyl]phenyl]phenyl]-5-naphthalen-2-yl-3-N-(9-phenylcarbazol-3-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccc5ccccc5c4)cc(N(c4ccc(-c5cccc(-c6ccc(-c7ccc(N(c8ccc(-c9ccccc9)cc8)c8cc(-c9ccc%10ccccc%10c9)cc(N(c9ccc(-c%10ccccc%10)cc9)c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)c8)cc7)cc6)c5)cc4)c4ccc5c(c4)sc4ccccc45)c3)cc2)cc1
InChIInChI=1S/C134H91N5S/c1-6-25-92(26-7-1)99-53-65-115(66-54-99)135(116-67-55-100(56-68-116)93-27-8-2-9-28-93)124-85-113(111-52-50-97-34-17-19-36-107(97)83-111)87-126(89-124)138(122-77-79-129-128-42-21-23-44-133(128)140-134(129)91-122)120-75-63-105(64-76-120)109-38-24-37-108(81-109)104-47-45-98(46-48-104)103-61-71-118(72-62-103)136(117-69-57-101(58-70-117)94-29-10-3-11-30-94)123-84-112(110-51-49-96-33-16-18-35-106(96)82-110)86-125(88-123)137(119-73-59-102(60-74-119)95-31-12-4-13-32-95)121-78-80-132-130(90-121)127-41-20-22-43-131(127)139(132)114-39-14-5-15-40-114/h1-91H
InChIKeyPJJCVZSHAGHMMK-UHFFFAOYSA-N
MW1803.30 g/mol
LogP38.34
Rot. Bonds22

About 1-N-[4-[4-[3-[4-[N-dibenzothiophen-3-yl-3-naphthalen-2-yl-5-(4-phenyl-N-(4-phenylphenyl)anilino)anilino]phenyl]phenyl]phenyl]phenyl]-5-naphthalen-2-yl-3-N-(9-phenylcarbazol-3-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine

1-N-[4-[4-[3-[4-[N-dibenzothiophen-3-yl-3-naphthalen-2-yl-5-(4-phenyl-N-(4-phenylphenyl)anilino)anilino]phenyl]phenyl]phenyl]phenyl]-5-naphthalen-2-yl-3-N-(9-phenylcarbazol-3-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine (PubChem CID 146664119) has the molecular formula C134H91N5S and a molecular weight of 1803.30 g/mol. Its IUPAC name is 1-N-[4-[4-[3-[4-[N-dibenzothiophen-3-yl-3-naphthalen-2-yl-5-(4-phenyl-N-(4-phenylphenyl)anilino)anilino]phenyl]phenyl]phenyl]phenyl]-5-naphthalen-2-yl-3-N-(9-phenylcarbazol-3-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name1-N-[4-[4-[3-[4-[N-dibenzothiophen-3-yl-3-naphthalen-2-yl-5-(4-phenyl-N-(4-phenylphenyl)anilino)anilino]phenyl]phenyl]phenyl]phenyl]-5-naphthalen-2-yl-3-N-(9-phenylcarbazol-3-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
PubChem CID146664119
Molecular FormulaC134H91N5S
Molecular Weight1803.30 g/mol
Exact Mass1801.70
IUPAC Name1-N-[4-[4-[3-[4-[N-dibenzothiophen-3-yl-3-naphthalen-2-yl-5-(4-phenyl-N-(4-phenylphenyl)anilino)anilino]phenyl]phenyl]phenyl]phenyl]-5-naphthalen-2-yl-3-N-(9-phenylcarbazol-3-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccc5ccccc5c4)cc(N(c4ccc(-c5cccc(-c6ccc(-c7ccc(N(c8ccc(-c9ccccc9)cc8)c8cc(-c9ccc%10ccccc%10c9)cc(N(c9ccc(-c%10ccccc%10)cc9)c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)c8)cc7)cc6)c5)cc4)c4ccc5c(c4)sc4ccccc45)c3)cc2)cc1
InChIInChI=1S/C134H91N5S/c1-6-25-92(26-7-1)99-53-65-115(66-54-99)135(116-67-55-100(56-68-116)93-27-8-2-9-28-93)124-85-113(111-52-50-97-34-17-19-36-107(97)83-111)87-126(89-124)138(122-77-79-129-128-42-21-23-44-133(128)140-134(129)91-122)120-75-63-105(64-76-120)109-38-24-37-108(81-109)104-47-45-98(46-48-104)103-61-71-118(72-62-103)136(117-69-57-101(58-70-117)94-29-10-3-11-30-94)123-84-112(110-51-49-96-33-16-18-35-106(96)82-110)86-125(88-123)137(119-73-59-102(60-74-119)95-31-12-4-13-32-95)121-78-80-132-130(90-121)127-41-20-22-43-131(127)139(132)114-39-14-5-15-40-114/h1-91H
InChIKeyPJJCVZSHAGHMMK-UHFFFAOYSA-N
XLogP38.34
TPSA17.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms140
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001803.30
LogP ≤ 538.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-N-[4-[4-[3-[4-[N-dibenzothiophen-3-yl-3-naphthalen-2-yl-5-(4-phenyl-N-(4-phenylphenyl)anilino)anilino]phenyl]phenyl]phenyl]phenyl]-5-naphthalen-2-yl-3-N-(9-phenylcarbazol-3-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine with MolForge

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Related Compounds

N-phenyl-N-[3-(9-phenylcarbazol-2-yl)-5-(6-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine
CID 118349368
1-N,3-N-di(dibenzothiophen-2-yl)-1-N,3-N-dinaphthalen-2-yl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 88873441
methane;N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 159257159
5-[7-[dibenzothiophen-2-yl(naphthalen-2-yl)amino]-9-phenylcarbazol-3-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 146588754
3-N-dibenzothiophen-3-yl-1-N-phenyl-3-N-[3-(9-phenylcarbazol-2-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 158726355
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 174258329
N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine
CID 129222113
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-3-amine
CID 70808761
N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 129085131
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-4-(4-naphthalen-2-ylphenyl)aniline
CID 146577905
N-(4-carbazol-9-ylphenyl)-N-[4-[3-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]phenyl]naphthalen-2-amine
CID 126718547
3-([1]benzothiolo[2,3-b]carbazol-7-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline
CID 135164596

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-[4-[3-[4-[N-dibenzothiophen-3-yl-3-naphthalen-2-yl-5-(4-phenyl-N-(4-phenylphenyl)anilino)anilino]phenyl]phenyl]phenyl]phenyl]-5-naphthalen-2-yl-3-N-(9-phenylcarbazol-3-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine?
The IUPAC name of 1-N-[4-[4-[3-[4-[N-dibenzothiophen-3-yl-3-naphthalen-2-yl-5-(4-phenyl-N-(4-phenylphenyl)anilino)anilino]phenyl]phenyl]phenyl]phenyl]-5-naphthalen-2-yl-3-N-(9-phenylcarbazol-3-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine (CID 146664119) is 1-N-[4-[4-[3-[4-[N-dibenzothiophen-3-yl-3-naphthalen-2-yl-5-(4-phenyl-N-(4-phenylphenyl)anilino)anilino]phenyl]phenyl]phenyl]phenyl]-5-naphthalen-2-yl-3-N-(9-phenylcarbazol-3-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine.
What is the SMILES notation for 1-N-[4-[4-[3-[4-[N-dibenzothiophen-3-yl-3-naphthalen-2-yl-5-(4-phenyl-N-(4-phenylphenyl)anilino)anilino]phenyl]phenyl]phenyl]phenyl]-5-naphthalen-2-yl-3-N-(9-phenylcarbazol-3-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine?
The canonical SMILES for 1-N-[4-[4-[3-[4-[N-dibenzothiophen-3-yl-3-naphthalen-2-yl-5-(4-phenyl-N-(4-phenylphenyl)anilino)anilino]phenyl]phenyl]phenyl]phenyl]-5-naphthalen-2-yl-3-N-(9-phenylcarbazol-3-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccc5ccccc5c4)cc(N(c4ccc(-c5cccc(-c6ccc(-c7ccc(N(c8ccc(-c9ccccc9)cc8)c8cc(-c9ccc%10ccccc%10c9)cc(N(c9ccc(-c%10ccccc%10)cc9)c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)c8)cc7)cc6)c5)cc4)c4ccc5c(c4)sc4ccccc45)c3)cc2)cc1.
What is the InChIKey of 1-N-[4-[4-[3-[4-[N-dibenzothiophen-3-yl-3-naphthalen-2-yl-5-(4-phenyl-N-(4-phenylphenyl)anilino)anilino]phenyl]phenyl]phenyl]phenyl]-5-naphthalen-2-yl-3-N-(9-phenylcarbazol-3-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine?
The InChIKey is PJJCVZSHAGHMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C134H91N5S/c1-6-25-92(26-7-1)99-53-65-115(66-54-99)135(116-67-55-100(56-68-116)93-27-8-2-9-28-93)124-85-113(111-52-50-97-34-17-19-36-107(97)83-111)87-126(89-124)138(122-77-79-129-128-42-21-23-44-133(128)140-134(129)91-122)120-75-63-105(64-76-120)109-38-24-37-108(81-109)104-47-45-98(46-48-104)103-61-71-118(72-62-103)136(117-69-57-101(58-70-117)94-29-10-3-11-30-94)123-84-112(110-51-49-96-33-16-18-35-106(96)82-110)86-125(88-123)137(119-73-59-102(60-74-119)95-31-12-4-13-32-95)121-78-80-132-130(90-121)127-41-20-22-43-131(127)139(132)114-39-14-5-15-40-114/h1-91H.
What are the key properties of 1-N-[4-[4-[3-[4-[N-dibenzothiophen-3-yl-3-naphthalen-2-yl-5-(4-phenyl-N-(4-phenylphenyl)anilino)anilino]phenyl]phenyl]phenyl]phenyl]-5-naphthalen-2-yl-3-N-(9-phenylcarbazol-3-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine?
1-N-[4-[4-[3-[4-[N-dibenzothiophen-3-yl-3-naphthalen-2-yl-5-(4-phenyl-N-(4-phenylphenyl)anilino)anilino]phenyl]phenyl]phenyl]phenyl]-5-naphthalen-2-yl-3-N-(9-phenylcarbazol-3-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine has a molecular weight of 1803.30 g/mol, XLogP of 38.34, 22 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-[4-[3-[4-[N-dibenzothiophen-3-yl-3-naphthalen-2-yl-5-(4-phenyl-N-(4-phenylphenyl)anilino)anilino]phenyl]phenyl]phenyl]phenyl]-5-naphthalen-2-yl-3-N-(9-phenylcarbazol-3-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine is sourced from PubChem (CID 146664119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).