N-[3-[2,6-bis[3-[4-(9-phenylcarbazol-1-yl)-N-(9-phenylcarbazol-3-yl)anilino]phenyl]pyrimidin-4-yl]phenyl]-9-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]carbazol-3-amine

C148H97N11 — CID 126631752

IUPACN-[3-[2,6-bis[3-[4-(9-phenylcarbazol-1-yl)-N-(9-phenylcarbazol-3-yl)anilino]phenyl]pyrimidin-4-yl]phenyl]-9-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]carbazol-3-amine
SMILESc1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc4)c4cccc(-c5cc(-c6cccc(N(c7ccc(-c8cccc9c%10ccccc%10n(-c%10ccccc%10)c89)cc7)c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c6)nc(-c6cccc(N(c7ccc(-c8cccc9c%10ccccc%10n(-c%10ccccc%10)c89)cc7)c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c6)n5)c4)ccc32)cc1
InChIInChI=1S/C148H97N11/c1-7-40-104(41-8-1)154-136-67-25-22-58-125(136)131-94-116(85-88-142(131)154)151(110-79-73-98(74-80-110)119-61-34-64-128-122-55-19-28-70-139(122)157(145(119)128)107-46-13-4-14-47-107)113-52-31-37-101(91-113)134-97-135(102-38-32-53-114(92-102)152(117-86-89-143-132(95-117)126-59-23-26-68-137(126)155(143)105-42-9-2-10-43-105)111-81-75-99(76-82-111)120-62-35-65-129-123-56-20-29-71-140(123)158(146(120)129)108-48-15-5-16-49-108)150-148(149-134)103-39-33-54-115(93-103)153(118-87-90-144-133(96-118)127-60-24-27-69-138(127)156(144)106-44-11-3-12-45-106)112-83-77-100(78-84-112)121-63-36-66-130-124-57-21-30-72-141(124)159(147(121)130)109-50-17-6-18-51-109/h1-97H
InChIKeyLMUFZLZZXNZFNM-UHFFFAOYSA-N
MW2029.48 g/mol
LogP39.47
Rot. Bonds21

About N-[3-[2,6-bis[3-[4-(9-phenylcarbazol-1-yl)-N-(9-phenylcarbazol-3-yl)anilino]phenyl]pyrimidin-4-yl]phenyl]-9-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]carbazol-3-amine

N-[3-[2,6-bis[3-[4-(9-phenylcarbazol-1-yl)-N-(9-phenylcarbazol-3-yl)anilino]phenyl]pyrimidin-4-yl]phenyl]-9-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]carbazol-3-amine (PubChem CID 126631752) has the molecular formula C148H97N11 and a molecular weight of 2029.48 g/mol. Its IUPAC name is N-[3-[2,6-bis[3-[4-(9-phenylcarbazol-1-yl)-N-(9-phenylcarbazol-3-yl)anilino]phenyl]pyrimidin-4-yl]phenyl]-9-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]carbazol-3-amine.

Molecular Properties

Compound NameN-[3-[2,6-bis[3-[4-(9-phenylcarbazol-1-yl)-N-(9-phenylcarbazol-3-yl)anilino]phenyl]pyrimidin-4-yl]phenyl]-9-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]carbazol-3-amine
PubChem CID126631752
Molecular FormulaC148H97N11
Molecular Weight2029.48 g/mol
Exact Mass2027.79
IUPAC NameN-[3-[2,6-bis[3-[4-(9-phenylcarbazol-1-yl)-N-(9-phenylcarbazol-3-yl)anilino]phenyl]pyrimidin-4-yl]phenyl]-9-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]carbazol-3-amine
SMILESc1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc4)c4cccc(-c5cc(-c6cccc(N(c7ccc(-c8cccc9c%10ccccc%10n(-c%10ccccc%10)c89)cc7)c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c6)nc(-c6cccc(N(c7ccc(-c8cccc9c%10ccccc%10n(-c%10ccccc%10)c89)cc7)c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c6)n5)c4)ccc32)cc1
InChIInChI=1S/C148H97N11/c1-7-40-104(41-8-1)154-136-67-25-22-58-125(136)131-94-116(85-88-142(131)154)151(110-79-73-98(74-80-110)119-61-34-64-128-122-55-19-28-70-139(122)157(145(119)128)107-46-13-4-14-47-107)113-52-31-37-101(91-113)134-97-135(102-38-32-53-114(92-102)152(117-86-89-143-132(95-117)126-59-23-26-68-137(126)155(143)105-42-9-2-10-43-105)111-81-75-99(76-82-111)120-62-35-65-129-123-56-20-29-71-140(123)158(146(120)129)108-48-15-5-16-49-108)150-148(149-134)103-39-33-54-115(93-103)153(118-87-90-144-133(96-118)127-60-24-27-69-138(127)156(144)106-44-11-3-12-45-106)112-83-77-100(78-84-112)121-63-36-66-130-124-57-21-30-72-141(124)159(147(121)130)109-50-17-6-18-51-109/h1-97H
InChIKeyLMUFZLZZXNZFNM-UHFFFAOYSA-N
XLogP39.47
TPSA65.08 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds21
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002029.48
LogP ≤ 539.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze N-[3-[2,6-bis[3-[4-(9-phenylcarbazol-1-yl)-N-(9-phenylcarbazol-3-yl)anilino]phenyl]pyrimidin-4-yl]phenyl]-9-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]carbazol-3-amine with MolForge

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Related Compounds

N-[3-[4,6-bis[3-[(9-phenylcarbazol-1-yl)-(9-phenylcarbazol-3-yl)amino]phenyl]-1,3,5-triazin-2-yl]phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-1-amine;N-[3-[2,6-bis[3-[4-(9-phenylcarbazol-2-yl)-N-(9-phenylcarbazol-3-yl)anilino]phenyl]pyrimidin-4-yl]phenyl]-9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-3-amine
CID 160756163
N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3-[4-[3-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]aniline
CID 134236787
N-[3-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-1-yl)phenyl]-N,9-diphenylcarbazol-3-amine
CID 148828998
N,N-diphenyl-9-[3-[2-[3-(N-phenylanilino)carbazol-9-yl]-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-amine
CID 134236708
1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-3-N-[3-(N-[4-(2-phenylphenyl)phenyl]anilino)phenyl]benzene-1,3-diamine
CID 177275922
3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 164790714
1-[4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole
CID 118149305
N,N-diphenyl-2-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]aniline;N,N-diphenyl-3-[4-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]aniline;N,N-diphenyl-4-[4-[4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]phenyl]aniline
CID 158484941
1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[4-(9-phenylcarbazol-1-yl)phenyl]carbazole
CID 118149455
N-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-N-phenyl-3-(9-phenylcarbazol-3-yl)aniline;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 157474914
9-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2,5-dimethylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 126730642
12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-N,N-diphenyl-1,12-diazaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-2(14),3,5(13),6(11),7,9,15,17,19,21,23,25,27-tridecaen-8-amine
CID 118331094

Frequently Asked Questions

What is the IUPAC name of N-[3-[2,6-bis[3-[4-(9-phenylcarbazol-1-yl)-N-(9-phenylcarbazol-3-yl)anilino]phenyl]pyrimidin-4-yl]phenyl]-9-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]carbazol-3-amine?
The IUPAC name of N-[3-[2,6-bis[3-[4-(9-phenylcarbazol-1-yl)-N-(9-phenylcarbazol-3-yl)anilino]phenyl]pyrimidin-4-yl]phenyl]-9-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]carbazol-3-amine (CID 126631752) is N-[3-[2,6-bis[3-[4-(9-phenylcarbazol-1-yl)-N-(9-phenylcarbazol-3-yl)anilino]phenyl]pyrimidin-4-yl]phenyl]-9-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]carbazol-3-amine.
What is the SMILES notation for N-[3-[2,6-bis[3-[4-(9-phenylcarbazol-1-yl)-N-(9-phenylcarbazol-3-yl)anilino]phenyl]pyrimidin-4-yl]phenyl]-9-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]carbazol-3-amine?
The canonical SMILES for N-[3-[2,6-bis[3-[4-(9-phenylcarbazol-1-yl)-N-(9-phenylcarbazol-3-yl)anilino]phenyl]pyrimidin-4-yl]phenyl]-9-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]carbazol-3-amine is c1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc4)c4cccc(-c5cc(-c6cccc(N(c7ccc(-c8cccc9c%10ccccc%10n(-c%10ccccc%10)c89)cc7)c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c6)nc(-c6cccc(N(c7ccc(-c8cccc9c%10ccccc%10n(-c%10ccccc%10)c89)cc7)c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c6)n5)c4)ccc32)cc1.
What is the InChIKey of N-[3-[2,6-bis[3-[4-(9-phenylcarbazol-1-yl)-N-(9-phenylcarbazol-3-yl)anilino]phenyl]pyrimidin-4-yl]phenyl]-9-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]carbazol-3-amine?
The InChIKey is LMUFZLZZXNZFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C148H97N11/c1-7-40-104(41-8-1)154-136-67-25-22-58-125(136)131-94-116(85-88-142(131)154)151(110-79-73-98(74-80-110)119-61-34-64-128-122-55-19-28-70-139(122)157(145(119)128)107-46-13-4-14-47-107)113-52-31-37-101(91-113)134-97-135(102-38-32-53-114(92-102)152(117-86-89-143-132(95-117)126-59-23-26-68-137(126)155(143)105-42-9-2-10-43-105)111-81-75-99(76-82-111)120-62-35-65-129-123-56-20-29-71-140(123)158(146(120)129)108-48-15-5-16-49-108)150-148(149-134)103-39-33-54-115(93-103)153(118-87-90-144-133(96-118)127-60-24-27-69-138(127)156(144)106-44-11-3-12-45-106)112-83-77-100(78-84-112)121-63-36-66-130-124-57-21-30-72-141(124)159(147(121)130)109-50-17-6-18-51-109/h1-97H.
What are the key properties of N-[3-[2,6-bis[3-[4-(9-phenylcarbazol-1-yl)-N-(9-phenylcarbazol-3-yl)anilino]phenyl]pyrimidin-4-yl]phenyl]-9-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]carbazol-3-amine?
N-[3-[2,6-bis[3-[4-(9-phenylcarbazol-1-yl)-N-(9-phenylcarbazol-3-yl)anilino]phenyl]pyrimidin-4-yl]phenyl]-9-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]carbazol-3-amine has a molecular weight of 2029.48 g/mol, XLogP of 39.47, 21 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2,6-bis[3-[4-(9-phenylcarbazol-1-yl)-N-(9-phenylcarbazol-3-yl)anilino]phenyl]pyrimidin-4-yl]phenyl]-9-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]carbazol-3-amine is sourced from PubChem (CID 126631752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).