N-[4-[3,6-bis(3-phenylphenyl)carbazol-9-yl]phenyl]-4-[3-[4-(N-[4-[3,6-bis(3-phenylphenyl)carbazol-9-yl]phenyl]anilino)phenyl]quinoxalin-2-yl]-N-phenylaniline

C116H78N6 — CID 59259835

IUPACN-[4-[3,6-bis(3-phenylphenyl)carbazol-9-yl]phenyl]-4-[3-[4-(N-[4-[3,6-bis(3-phenylphenyl)carbazol-9-yl]phenyl]anilino)phenyl]quinoxalin-2-yl]-N-phenylaniline
SMILESc1ccc(-c2cccc(-c3ccc4c(c3)c3cc(-c5cccc(-c6ccccc6)c5)ccc3n4-c3ccc(N(c4ccccc4)c4ccc(-c5nc6ccccc6nc5-c5ccc(N(c6ccccc6)c6ccc(-n7c8ccc(-c9cccc(-c%10ccccc%10)c9)cc8c8cc(-c9cccc(-c%10ccccc%10)c9)ccc87)cc6)cc5)cc4)cc3)c2)cc1
InChIInChI=1S/C116H78N6/c1-7-25-79(26-8-1)85-33-21-37-89(71-85)93-51-67-111-105(75-93)106-76-94(90-38-22-34-86(72-90)80-27-9-2-10-28-80)52-68-112(106)121(111)103-63-59-101(60-64-103)119(97-41-15-5-16-42-97)99-55-47-83(48-56-99)115-116(118-110-46-20-19-45-109(110)117-115)84-49-57-100(58-50-84)120(98-43-17-6-18-44-98)102-61-65-104(66-62-102)122-113-69-53-95(91-39-23-35-87(73-91)81-29-11-3-12-30-81)77-107(113)108-78-96(54-70-114(108)122)92-40-24-36-88(74-92)82-31-13-4-14-32-82/h1-78H
InChIKeyDDOIKZPRVSRQEQ-UHFFFAOYSA-N
MW1555.94 g/mol
LogP31.43
Rot. Bonds18

About N-[4-[3,6-bis(3-phenylphenyl)carbazol-9-yl]phenyl]-4-[3-[4-(N-[4-[3,6-bis(3-phenylphenyl)carbazol-9-yl]phenyl]anilino)phenyl]quinoxalin-2-yl]-N-phenylaniline

N-[4-[3,6-bis(3-phenylphenyl)carbazol-9-yl]phenyl]-4-[3-[4-(N-[4-[3,6-bis(3-phenylphenyl)carbazol-9-yl]phenyl]anilino)phenyl]quinoxalin-2-yl]-N-phenylaniline (PubChem CID 59259835) has the molecular formula C116H78N6 and a molecular weight of 1555.94 g/mol. Its IUPAC name is N-[4-[3,6-bis(3-phenylphenyl)carbazol-9-yl]phenyl]-4-[3-[4-(N-[4-[3,6-bis(3-phenylphenyl)carbazol-9-yl]phenyl]anilino)phenyl]quinoxalin-2-yl]-N-phenylaniline.

Molecular Properties

Compound NameN-[4-[3,6-bis(3-phenylphenyl)carbazol-9-yl]phenyl]-4-[3-[4-(N-[4-[3,6-bis(3-phenylphenyl)carbazol-9-yl]phenyl]anilino)phenyl]quinoxalin-2-yl]-N-phenylaniline
PubChem CID59259835
Molecular FormulaC116H78N6
Molecular Weight1555.94 g/mol
Exact Mass1554.63
IUPAC NameN-[4-[3,6-bis(3-phenylphenyl)carbazol-9-yl]phenyl]-4-[3-[4-(N-[4-[3,6-bis(3-phenylphenyl)carbazol-9-yl]phenyl]anilino)phenyl]quinoxalin-2-yl]-N-phenylaniline
SMILESc1ccc(-c2cccc(-c3ccc4c(c3)c3cc(-c5cccc(-c6ccccc6)c5)ccc3n4-c3ccc(N(c4ccccc4)c4ccc(-c5nc6ccccc6nc5-c5ccc(N(c6ccccc6)c6ccc(-n7c8ccc(-c9cccc(-c%10ccccc%10)c9)cc8c8cc(-c9cccc(-c%10ccccc%10)c9)ccc87)cc6)cc5)cc4)cc3)c2)cc1
InChIInChI=1S/C116H78N6/c1-7-25-79(26-8-1)85-33-21-37-89(71-85)93-51-67-111-105(75-93)106-76-94(90-38-22-34-86(72-90)80-27-9-2-10-28-80)52-68-112(106)121(111)103-63-59-101(60-64-103)119(97-41-15-5-16-42-97)99-55-47-83(48-56-99)115-116(118-110-46-20-19-45-109(110)117-115)84-49-57-100(58-50-84)120(98-43-17-6-18-44-98)102-61-65-104(66-62-102)122-113-69-53-95(91-39-23-35-87(73-91)81-29-11-3-12-30-81)77-107(113)108-78-96(54-70-114(108)122)92-40-24-36-88(74-92)82-31-13-4-14-32-82/h1-78H
InChIKeyDDOIKZPRVSRQEQ-UHFFFAOYSA-N
XLogP31.43
TPSA42.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms122
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001555.94
LogP ≤ 531.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[4-[3,6-bis(3-phenylphenyl)carbazol-9-yl]phenyl]-4-[3-[4-(N-[4-[3,6-bis(3-phenylphenyl)carbazol-9-yl]phenyl]anilino)phenyl]quinoxalin-2-yl]-N-phenylaniline with MolForge

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Related Compounds

N-phenyl-4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline
CID 59489315
4-[6-[4-(4-methylphenyl)phenyl]-9-phenylcarbazol-3-yl]-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline
CID 59489347
N-phenyl-4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline
CID 59489448
4-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline
CID 59489369
9-[4-(3-phenylphenyl)phenyl]-3-[4-[3-[4-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole
CID 59702563
N-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline
CID 122524703
N-(4-carbazol-9-ylphenyl)-4-(3,6-diphenylquinoxalin-2-yl)-N-phenylaniline
CID 59259734
6-naphthalen-2-yl-N-[4-[3-[4-(N-(6-naphthalen-2-yl-9-phenylcarbazol-3-yl)anilino)phenyl]quinoxalin-2-yl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 59259764
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
3-(3-phenanthridin-6-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 121337544
N-[4-[3-(6,9-diphenylcarbazol-3-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 59470021
N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121312844

Frequently Asked Questions

What is the IUPAC name of N-[4-[3,6-bis(3-phenylphenyl)carbazol-9-yl]phenyl]-4-[3-[4-(N-[4-[3,6-bis(3-phenylphenyl)carbazol-9-yl]phenyl]anilino)phenyl]quinoxalin-2-yl]-N-phenylaniline?
The IUPAC name of N-[4-[3,6-bis(3-phenylphenyl)carbazol-9-yl]phenyl]-4-[3-[4-(N-[4-[3,6-bis(3-phenylphenyl)carbazol-9-yl]phenyl]anilino)phenyl]quinoxalin-2-yl]-N-phenylaniline (CID 59259835) is N-[4-[3,6-bis(3-phenylphenyl)carbazol-9-yl]phenyl]-4-[3-[4-(N-[4-[3,6-bis(3-phenylphenyl)carbazol-9-yl]phenyl]anilino)phenyl]quinoxalin-2-yl]-N-phenylaniline.
What is the SMILES notation for N-[4-[3,6-bis(3-phenylphenyl)carbazol-9-yl]phenyl]-4-[3-[4-(N-[4-[3,6-bis(3-phenylphenyl)carbazol-9-yl]phenyl]anilino)phenyl]quinoxalin-2-yl]-N-phenylaniline?
The canonical SMILES for N-[4-[3,6-bis(3-phenylphenyl)carbazol-9-yl]phenyl]-4-[3-[4-(N-[4-[3,6-bis(3-phenylphenyl)carbazol-9-yl]phenyl]anilino)phenyl]quinoxalin-2-yl]-N-phenylaniline is c1ccc(-c2cccc(-c3ccc4c(c3)c3cc(-c5cccc(-c6ccccc6)c5)ccc3n4-c3ccc(N(c4ccccc4)c4ccc(-c5nc6ccccc6nc5-c5ccc(N(c6ccccc6)c6ccc(-n7c8ccc(-c9cccc(-c%10ccccc%10)c9)cc8c8cc(-c9cccc(-c%10ccccc%10)c9)ccc87)cc6)cc5)cc4)cc3)c2)cc1.
What is the InChIKey of N-[4-[3,6-bis(3-phenylphenyl)carbazol-9-yl]phenyl]-4-[3-[4-(N-[4-[3,6-bis(3-phenylphenyl)carbazol-9-yl]phenyl]anilino)phenyl]quinoxalin-2-yl]-N-phenylaniline?
The InChIKey is DDOIKZPRVSRQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C116H78N6/c1-7-25-79(26-8-1)85-33-21-37-89(71-85)93-51-67-111-105(75-93)106-76-94(90-38-22-34-86(72-90)80-27-9-2-10-28-80)52-68-112(106)121(111)103-63-59-101(60-64-103)119(97-41-15-5-16-42-97)99-55-47-83(48-56-99)115-116(118-110-46-20-19-45-109(110)117-115)84-49-57-100(58-50-84)120(98-43-17-6-18-44-98)102-61-65-104(66-62-102)122-113-69-53-95(91-39-23-35-87(73-91)81-29-11-3-12-30-81)77-107(113)108-78-96(54-70-114(108)122)92-40-24-36-88(74-92)82-31-13-4-14-32-82/h1-78H.
What are the key properties of N-[4-[3,6-bis(3-phenylphenyl)carbazol-9-yl]phenyl]-4-[3-[4-(N-[4-[3,6-bis(3-phenylphenyl)carbazol-9-yl]phenyl]anilino)phenyl]quinoxalin-2-yl]-N-phenylaniline?
N-[4-[3,6-bis(3-phenylphenyl)carbazol-9-yl]phenyl]-4-[3-[4-(N-[4-[3,6-bis(3-phenylphenyl)carbazol-9-yl]phenyl]anilino)phenyl]quinoxalin-2-yl]-N-phenylaniline has a molecular weight of 1555.94 g/mol, XLogP of 31.43, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3,6-bis(3-phenylphenyl)carbazol-9-yl]phenyl]-4-[3-[4-(N-[4-[3,6-bis(3-phenylphenyl)carbazol-9-yl]phenyl]anilino)phenyl]quinoxalin-2-yl]-N-phenylaniline is sourced from PubChem (CID 59259835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).