6-naphthalen-2-yl-N-[4-[2-[4-(N-(6-naphthalen-2-yl-9-phenylcarbazol-3-yl)anilino)phenyl]ethenyl]phenyl]-N,9-diphenylcarbazol-3-amine

C82H56N4 — CID 76557049

IUPAC6-naphthalen-2-yl-N-[4-[2-[4-(N-(6-naphthalen-2-yl-9-phenylcarbazol-3-yl)anilino)phenyl]ethenyl]phenyl]-N,9-diphenylcarbazol-3-amine
SMILESC(=Cc1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc(-c4ccc5ccccc5c4)ccc2n3-c2ccccc2)cc1)c1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc(-c4ccc5ccccc5c4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C82H56N4/c1-5-21-67(22-6-1)83(73-45-49-81-77(55-73)75-53-65(63-37-35-59-17-13-15-19-61(59)51-63)39-47-79(75)85(81)69-25-9-3-10-26-69)71-41-31-57(32-42-71)29-30-58-33-43-72(44-34-58)84(68-23-7-2-8-24-68)74-46-50-82-78(56-74)76-54-66(64-38-36-60-18-14-16-20-62(60)52-64)40-48-80(76)86(82)70-27-11-4-12-28-70/h1-56H
InChIKeyRCSLLXUUWXTZCK-UHFFFAOYSA-N
MW1097.38 g/mol
LogP22.63
Rot. Bonds12

About 6-naphthalen-2-yl-N-[4-[2-[4-(N-(6-naphthalen-2-yl-9-phenylcarbazol-3-yl)anilino)phenyl]ethenyl]phenyl]-N,9-diphenylcarbazol-3-amine

6-naphthalen-2-yl-N-[4-[2-[4-(N-(6-naphthalen-2-yl-9-phenylcarbazol-3-yl)anilino)phenyl]ethenyl]phenyl]-N,9-diphenylcarbazol-3-amine (PubChem CID 76557049) has the molecular formula C82H56N4 and a molecular weight of 1097.38 g/mol. Its IUPAC name is 6-naphthalen-2-yl-N-[4-[2-[4-(N-(6-naphthalen-2-yl-9-phenylcarbazol-3-yl)anilino)phenyl]ethenyl]phenyl]-N,9-diphenylcarbazol-3-amine.

Molecular Properties

Compound Name6-naphthalen-2-yl-N-[4-[2-[4-(N-(6-naphthalen-2-yl-9-phenylcarbazol-3-yl)anilino)phenyl]ethenyl]phenyl]-N,9-diphenylcarbazol-3-amine
PubChem CID76557049
Molecular FormulaC82H56N4
Molecular Weight1097.38 g/mol
Exact Mass1096.45
IUPAC Name6-naphthalen-2-yl-N-[4-[2-[4-(N-(6-naphthalen-2-yl-9-phenylcarbazol-3-yl)anilino)phenyl]ethenyl]phenyl]-N,9-diphenylcarbazol-3-amine
SMILESC(=Cc1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc(-c4ccc5ccccc5c4)ccc2n3-c2ccccc2)cc1)c1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc(-c4ccc5ccccc5c4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C82H56N4/c1-5-21-67(22-6-1)83(73-45-49-81-77(55-73)75-53-65(63-37-35-59-17-13-15-19-61(59)51-63)39-47-79(75)85(81)69-25-9-3-10-26-69)71-41-31-57(32-42-71)29-30-58-33-43-72(44-34-58)84(68-23-7-2-8-24-68)74-46-50-82-78(56-74)76-54-66(64-38-36-60-18-14-16-20-62(60)52-64)40-48-80(76)86(82)70-27-11-4-12-28-70/h1-56H
InChIKeyRCSLLXUUWXTZCK-UHFFFAOYSA-N
XLogP22.63
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001097.38
LogP ≤ 522.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 6-naphthalen-2-yl-N-[4-[2-[4-(N-(6-naphthalen-2-yl-9-phenylcarbazol-3-yl)anilino)phenyl]ethenyl]phenyl]-N,9-diphenylcarbazol-3-amine with MolForge

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Related Compounds

N-(4-carbazol-9-ylphenyl)-4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]-N-phenylaniline
CID 59501688
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
N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]phenanthren-3-amine
CID 168809831
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 174258329
N-(4-naphthalen-2-ylphenyl)-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 166956432
N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 166956515
N-phenyl-9-(4-phenylphenyl)-N-[4-[2-[4-(N-[9-(4-phenylphenyl)carbazol-3-yl]anilino)phenyl]ethenyl]phenyl]carbazol-3-amine
CID 76557074
N,9-diphenyl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]carbazol-3-amine
CID 174257818
N-(7-naphthalen-2-ylnaphthalen-1-yl)-N,9-diphenylcarbazol-3-amine
CID 176587933
6-(4-ethenylphenyl)-N-[4-[4-(N-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 139320793
N-[4-[3,5-bis(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 121311239
7-naphthalen-2-yl-N,N,9-triphenylcarbazol-2-amine
CID 146573850

Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-2-yl-N-[4-[2-[4-(N-(6-naphthalen-2-yl-9-phenylcarbazol-3-yl)anilino)phenyl]ethenyl]phenyl]-N,9-diphenylcarbazol-3-amine?
The IUPAC name of 6-naphthalen-2-yl-N-[4-[2-[4-(N-(6-naphthalen-2-yl-9-phenylcarbazol-3-yl)anilino)phenyl]ethenyl]phenyl]-N,9-diphenylcarbazol-3-amine (CID 76557049) is 6-naphthalen-2-yl-N-[4-[2-[4-(N-(6-naphthalen-2-yl-9-phenylcarbazol-3-yl)anilino)phenyl]ethenyl]phenyl]-N,9-diphenylcarbazol-3-amine.
What is the SMILES notation for 6-naphthalen-2-yl-N-[4-[2-[4-(N-(6-naphthalen-2-yl-9-phenylcarbazol-3-yl)anilino)phenyl]ethenyl]phenyl]-N,9-diphenylcarbazol-3-amine?
The canonical SMILES for 6-naphthalen-2-yl-N-[4-[2-[4-(N-(6-naphthalen-2-yl-9-phenylcarbazol-3-yl)anilino)phenyl]ethenyl]phenyl]-N,9-diphenylcarbazol-3-amine is C(=Cc1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc(-c4ccc5ccccc5c4)ccc2n3-c2ccccc2)cc1)c1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc(-c4ccc5ccccc5c4)ccc2n3-c2ccccc2)cc1.
What is the InChIKey of 6-naphthalen-2-yl-N-[4-[2-[4-(N-(6-naphthalen-2-yl-9-phenylcarbazol-3-yl)anilino)phenyl]ethenyl]phenyl]-N,9-diphenylcarbazol-3-amine?
The InChIKey is RCSLLXUUWXTZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H56N4/c1-5-21-67(22-6-1)83(73-45-49-81-77(55-73)75-53-65(63-37-35-59-17-13-15-19-61(59)51-63)39-47-79(75)85(81)69-25-9-3-10-26-69)71-41-31-57(32-42-71)29-30-58-33-43-72(44-34-58)84(68-23-7-2-8-24-68)74-46-50-82-78(56-74)76-54-66(64-38-36-60-18-14-16-20-62(60)52-64)40-48-80(76)86(82)70-27-11-4-12-28-70/h1-56H.
What are the key properties of 6-naphthalen-2-yl-N-[4-[2-[4-(N-(6-naphthalen-2-yl-9-phenylcarbazol-3-yl)anilino)phenyl]ethenyl]phenyl]-N,9-diphenylcarbazol-3-amine?
6-naphthalen-2-yl-N-[4-[2-[4-(N-(6-naphthalen-2-yl-9-phenylcarbazol-3-yl)anilino)phenyl]ethenyl]phenyl]-N,9-diphenylcarbazol-3-amine has a molecular weight of 1097.38 g/mol, XLogP of 22.63, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-2-yl-N-[4-[2-[4-(N-(6-naphthalen-2-yl-9-phenylcarbazol-3-yl)anilino)phenyl]ethenyl]phenyl]-N,9-diphenylcarbazol-3-amine is sourced from PubChem (CID 76557049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).