N-[4-[4-(N-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)-9-phenylcarbazol-3-amine

C63H50N4 — CID 130309344

About N-[4-[4-(N-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)-9-phenylcarbazol-3-amine

N-[4-[4-(N-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)-9-phenylcarbazol-3-amine (PubChem CID 130309344) has the molecular formula C63H50N4 and a molecular weight of 863.12 g/mol. Its IUPAC name is N-[4-[4-(N-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)-9-phenylcarbazol-3-amine.

Molecular Properties

• Compound Name: N-[4-[4-(N-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)-9-phenylcarbazol-3-amine
• PubChem CID: 130309344
• Molecular Formula: C63H50N4
• Molecular Weight: 863.12 g/mol
• Exact Mass: 862.40
• IUPAC Name: N-[4-[4-(N-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)-9-phenylcarbazol-3-amine
• SMILES: C=Cc1c(/C=C\C)c2cc(N(c3ccc(C)cc3)c3ccc(-c4ccc(N(c5ccc(C)cc5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3)ccc2n1-c1ccccc1
• InChI: InChI=1S/C63H50N4/c1-5-15-56-58-42-54(38-40-62(58)66(60(56)6-2)48-16-9-7-10-17-48)64(50-30-22-44(3)23-31-50)52-34-26-46(27-35-52)47-28-36-53(37-29-47)65(51-32-24-45(4)25-33-51)55-39-41-63-59(43-55)57-20-13-14-21-61(57)67(63)49-18-11-8-12-19-49/h5-43H,2H2,1,3-4H3/b15-5-
• InChIKey: KSJJRPMIDQDNFI-WCSRMQSCSA-N
• XLogP: 17.63
• TPSA: 16.34 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	863.12
LogP ≤ 5	17.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(N-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)-9-phenylcarbazol-3-amine?

The IUPAC name of N-[4-[4-(N-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)-9-phenylcarbazol-3-amine (CID 130309344) is N-[4-[4-(N-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)-9-phenylcarbazol-3-amine.

What is the SMILES notation for N-[4-[4-(N-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)-9-phenylcarbazol-3-amine?

The canonical SMILES for N-[4-[4-(N-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)-9-phenylcarbazol-3-amine is C=Cc1c(/C=C\C)c2cc(N(c3ccc(C)cc3)c3ccc(-c4ccc(N(c5ccc(C)cc5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3)ccc2n1-c1ccccc1.

What is the InChIKey of N-[4-[4-(N-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)-9-phenylcarbazol-3-amine?

The InChIKey is KSJJRPMIDQDNFI-WCSRMQSCSA-N. The full InChI is InChI=1S/C63H50N4/c1-5-15-56-58-42-54(38-40-62(58)66(60(56)6-2)48-16-9-7-10-17-48)64(50-30-22-44(3)23-31-50)52-34-26-46(27-35-52)47-28-36-53(37-29-47)65(51-32-24-45(4)25-33-51)55-39-41-63-59(43-55)57-20-13-14-21-61(57)67(63)49-18-11-8-12-19-49/h5-43H,2H2,1,3-4H3/b15-5-.

What are the key properties of N-[4-[4-(N-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)-9-phenylcarbazol-3-amine?

N-[4-[4-(N-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)-9-phenylcarbazol-3-amine has a molecular weight of 863.12 g/mol, XLogP of 17.63, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(N-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)-9-phenylcarbazol-3-amine is sourced from PubChem (CID 130309344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).