N-[3-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-(2,5-diphenylphenyl)pyrimidin-2-yl]phenyl]-4-(9-phenylcarbazol-3-yl)-2-[3-(9-phenylcarbazol-3-yl)phenyl]aniline

C130H84N8 — CID 134236916

IUPACN-[3-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-(2,5-diphenylphenyl)pyrimidin-2-yl]phenyl]-4-(9-phenylcarbazol-3-yl)-2-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccccc3)c(-c3cc(-c4cccc(-n5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c4)nc(-c4cccc(Nc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5-c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c5)c4)n3)c2)cc1
InChIInChI=1S/C130H84N8/c1-7-30-84(31-8-1)87-56-64-104(85-32-9-2-10-33-85)110(76-87)119-83-118(96-36-29-47-103(74-96)138-128-70-62-93(91-60-68-126-113(79-91)107-50-21-25-54-122(107)136(126)101-43-15-5-16-44-101)81-115(128)116-82-94(63-71-129(116)138)92-61-69-127-114(80-92)108-51-22-26-55-123(108)137(127)102-45-17-6-18-46-102)132-130(133-119)97-37-28-38-98(73-97)131-117-65-57-88(90-59-67-125-112(78-90)106-49-20-24-53-121(106)135(125)100-41-13-4-14-42-100)75-109(117)95-35-27-34-86(72-95)89-58-66-124-111(77-89)105-48-19-23-52-120(105)134(124)99-39-11-3-12-40-99/h1-83,131H
InChIKeyINOPLGKLWSGSTC-UHFFFAOYSA-N
MW1758.16 g/mol
LogP34.38
Rot. Bonds17

About N-[3-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-(2,5-diphenylphenyl)pyrimidin-2-yl]phenyl]-4-(9-phenylcarbazol-3-yl)-2-[3-(9-phenylcarbazol-3-yl)phenyl]aniline

N-[3-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-(2,5-diphenylphenyl)pyrimidin-2-yl]phenyl]-4-(9-phenylcarbazol-3-yl)-2-[3-(9-phenylcarbazol-3-yl)phenyl]aniline (PubChem CID 134236916) has the molecular formula C130H84N8 and a molecular weight of 1758.16 g/mol. Its IUPAC name is N-[3-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-(2,5-diphenylphenyl)pyrimidin-2-yl]phenyl]-4-(9-phenylcarbazol-3-yl)-2-[3-(9-phenylcarbazol-3-yl)phenyl]aniline.

Molecular Properties

Compound NameN-[3-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-(2,5-diphenylphenyl)pyrimidin-2-yl]phenyl]-4-(9-phenylcarbazol-3-yl)-2-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
PubChem CID134236916
Molecular FormulaC130H84N8
Molecular Weight1758.16 g/mol
Exact Mass1756.68
IUPAC NameN-[3-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-(2,5-diphenylphenyl)pyrimidin-2-yl]phenyl]-4-(9-phenylcarbazol-3-yl)-2-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccccc3)c(-c3cc(-c4cccc(-n5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c4)nc(-c4cccc(Nc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5-c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c5)c4)n3)c2)cc1
InChIInChI=1S/C130H84N8/c1-7-30-84(31-8-1)87-56-64-104(85-32-9-2-10-33-85)110(76-87)119-83-118(96-36-29-47-103(74-96)138-128-70-62-93(91-60-68-126-113(79-91)107-50-21-25-54-122(107)136(126)101-43-15-5-16-44-101)81-115(128)116-82-94(63-71-129(116)138)92-61-69-127-114(80-92)108-51-22-26-55-123(108)137(127)102-45-17-6-18-46-102)132-130(133-119)97-37-28-38-98(73-97)131-117-65-57-88(90-59-67-125-112(78-90)106-49-20-24-53-121(106)135(125)100-41-13-4-14-42-100)75-109(117)95-35-27-34-86(72-95)89-58-66-124-111(77-89)105-48-19-23-52-120(105)134(124)99-39-11-3-12-40-99/h1-83,131H
InChIKeyINOPLGKLWSGSTC-UHFFFAOYSA-N
XLogP34.38
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms138
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001758.16
LogP ≤ 534.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[3-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-(2,5-diphenylphenyl)pyrimidin-2-yl]phenyl]-4-(9-phenylcarbazol-3-yl)-2-[3-(9-phenylcarbazol-3-yl)phenyl]aniline with MolForge

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Related Compounds

3-[9-[4-[2,5-bis(4-phenylphenyl)phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 134237067
3-[9-[4-[3-(3,4-diphenylphenyl)phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 134236674
9-[3-[2-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126632710
3-[3-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]-9-(3-carbazol-9-ylphenyl)carbazole
CID 90209021
9-[4-[2,6-bis[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126630575
9-[3-[2-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2,4-diphenylphenyl)pyrimidin-4-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-(2-phenylphenyl)pyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole
CID 159652525
3-[3-carbazol-9-yl-5-[6-[3-(4-carbazol-9-ylphenyl)phenyl]-2-(3,5-diphenylphenyl)pyrimidin-4-yl]phenyl]-9-phenylcarbazole;3-[3-carbazol-9-yl-5-[6-[3-(4-carbazol-9-ylphenyl)phenyl]-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]-9-phenylcarbazole;3-[3-carbazol-9-yl-5-[6-[3-(4-carbazol-9-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 157469186
3-[9-[3-[4-(2,6-diphenylphenyl)-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 134236907
1-N-phenyl-4-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)benzene-1,4-diamine
CID 175396320
N-phenyl-2-[3-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 118907859
2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 121360373
3-(9-phenylcarbazol-3-yl)-9-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 134236668

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-(2,5-diphenylphenyl)pyrimidin-2-yl]phenyl]-4-(9-phenylcarbazol-3-yl)-2-[3-(9-phenylcarbazol-3-yl)phenyl]aniline?
The IUPAC name of N-[3-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-(2,5-diphenylphenyl)pyrimidin-2-yl]phenyl]-4-(9-phenylcarbazol-3-yl)-2-[3-(9-phenylcarbazol-3-yl)phenyl]aniline (CID 134236916) is N-[3-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-(2,5-diphenylphenyl)pyrimidin-2-yl]phenyl]-4-(9-phenylcarbazol-3-yl)-2-[3-(9-phenylcarbazol-3-yl)phenyl]aniline.
What is the SMILES notation for N-[3-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-(2,5-diphenylphenyl)pyrimidin-2-yl]phenyl]-4-(9-phenylcarbazol-3-yl)-2-[3-(9-phenylcarbazol-3-yl)phenyl]aniline?
The canonical SMILES for N-[3-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-(2,5-diphenylphenyl)pyrimidin-2-yl]phenyl]-4-(9-phenylcarbazol-3-yl)-2-[3-(9-phenylcarbazol-3-yl)phenyl]aniline is c1ccc(-c2ccc(-c3ccccc3)c(-c3cc(-c4cccc(-n5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c4)nc(-c4cccc(Nc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5-c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c5)c4)n3)c2)cc1.
What is the InChIKey of N-[3-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-(2,5-diphenylphenyl)pyrimidin-2-yl]phenyl]-4-(9-phenylcarbazol-3-yl)-2-[3-(9-phenylcarbazol-3-yl)phenyl]aniline?
The InChIKey is INOPLGKLWSGSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C130H84N8/c1-7-30-84(31-8-1)87-56-64-104(85-32-9-2-10-33-85)110(76-87)119-83-118(96-36-29-47-103(74-96)138-128-70-62-93(91-60-68-126-113(79-91)107-50-21-25-54-122(107)136(126)101-43-15-5-16-44-101)81-115(128)116-82-94(63-71-129(116)138)92-61-69-127-114(80-92)108-51-22-26-55-123(108)137(127)102-45-17-6-18-46-102)132-130(133-119)97-37-28-38-98(73-97)131-117-65-57-88(90-59-67-125-112(78-90)106-49-20-24-53-121(106)135(125)100-41-13-4-14-42-100)75-109(117)95-35-27-34-86(72-95)89-58-66-124-111(77-89)105-48-19-23-52-120(105)134(124)99-39-11-3-12-40-99/h1-83,131H.
What are the key properties of N-[3-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-(2,5-diphenylphenyl)pyrimidin-2-yl]phenyl]-4-(9-phenylcarbazol-3-yl)-2-[3-(9-phenylcarbazol-3-yl)phenyl]aniline?
N-[3-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-(2,5-diphenylphenyl)pyrimidin-2-yl]phenyl]-4-(9-phenylcarbazol-3-yl)-2-[3-(9-phenylcarbazol-3-yl)phenyl]aniline has a molecular weight of 1758.16 g/mol, XLogP of 34.38, 17 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-(2,5-diphenylphenyl)pyrimidin-2-yl]phenyl]-4-(9-phenylcarbazol-3-yl)-2-[3-(9-phenylcarbazol-3-yl)phenyl]aniline is sourced from PubChem (CID 134236916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).