(7Z,8E)-N-[4-[4-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-7,8-di(ethylidene)-N-(7,9,9-triphenylfluoren-2-yl)quinolin-3-amine;ethane

C70H57N3 — CID 145452364

About (7Z,8E)-N-[4-[4-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-7,8-di(ethylidene)-N-(7,9,9-triphenylfluoren-2-yl)quinolin-3-amine;ethane

(7Z,8E)-N-[4-[4-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-7,8-di(ethylidene)-N-(7,9,9-triphenylfluoren-2-yl)quinolin-3-amine;ethane (PubChem CID 145452364) has the molecular formula C70H57N3 and a molecular weight of 940.25 g/mol. Its IUPAC name is (7Z,8E)-N-[4-[4-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-7,8-di(ethylidene)-N-(7,9,9-triphenylfluoren-2-yl)quinolin-3-amine;ethane.

Molecular Properties

• Compound Name: (7Z,8E)-N-[4-[4-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-7,8-di(ethylidene)-N-(7,9,9-triphenylfluoren-2-yl)quinolin-3-amine;ethane
• PubChem CID: 145452364
• Molecular Formula: C70H57N3
• Molecular Weight: 940.25 g/mol
• Exact Mass: 939.46
• IUPAC Name: (7Z,8E)-N-[4-[4-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-7,8-di(ethylidene)-N-(7,9,9-triphenylfluoren-2-yl)quinolin-3-amine;ethane
• SMILES: C/C=c1/ccc2cc(N(c3ccc(-c4ccc(-n5c6c(c7ccccc75)C=CCC6)cc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5ccccc5)ccc3-4)cnc2/c1=C/C.CC
• InChI: InChI=1S/C68H51N3.C2H6/c1-3-46-28-29-51-42-57(45-69-67(51)58(46)4-2)70(54-35-30-48(31-36-54)49-32-37-55(38-33-49)71-65-26-16-14-24-61(65)62-25-15-17-27-66(62)71)56-39-41-60-59-40-34-50(47-18-8-5-9-19-47)43-63(59)68(64(60)44-56,52-20-10-6-11-21-52)53-22-12-7-13-23-53;1-2/h3-16,18-26,28-45H,17,27H2,1-2H3;1-2H3/b46-3-,58-4+
• InChIKey: LMZMPUAQGYNLPR-GQVVOXOGSA-N
• XLogP: 16.93
• TPSA: 21.06 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	940.25
LogP ≤ 5	16.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (7Z,8E)-N-[4-[4-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-7,8-di(ethylidene)-N-(7,9,9-triphenylfluoren-2-yl)quinolin-3-amine;ethane?

The IUPAC name of (7Z,8E)-N-[4-[4-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-7,8-di(ethylidene)-N-(7,9,9-triphenylfluoren-2-yl)quinolin-3-amine;ethane (CID 145452364) is (7Z,8E)-N-[4-[4-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-7,8-di(ethylidene)-N-(7,9,9-triphenylfluoren-2-yl)quinolin-3-amine;ethane.

What is the SMILES notation for (7Z,8E)-N-[4-[4-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-7,8-di(ethylidene)-N-(7,9,9-triphenylfluoren-2-yl)quinolin-3-amine;ethane?

The canonical SMILES for (7Z,8E)-N-[4-[4-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-7,8-di(ethylidene)-N-(7,9,9-triphenylfluoren-2-yl)quinolin-3-amine;ethane is C/C=c1/ccc2cc(N(c3ccc(-c4ccc(-n5c6c(c7ccccc75)C=CCC6)cc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5ccccc5)ccc3-4)cnc2/c1=C/C.CC.

What is the InChIKey of (7Z,8E)-N-[4-[4-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-7,8-di(ethylidene)-N-(7,9,9-triphenylfluoren-2-yl)quinolin-3-amine;ethane?

The InChIKey is LMZMPUAQGYNLPR-GQVVOXOGSA-N. The full InChI is InChI=1S/C68H51N3.C2H6/c1-3-46-28-29-51-42-57(45-69-67(51)58(46)4-2)70(54-35-30-48(31-36-54)49-32-37-55(38-33-49)71-65-26-16-14-24-61(65)62-25-15-17-27-66(62)71)56-39-41-60-59-40-34-50(47-18-8-5-9-19-47)43-63(59)68(64(60)44-56,52-20-10-6-11-21-52)53-22-12-7-13-23-53;1-2/h3-16,18-26,28-45H,17,27H2,1-2H3;1-2H3/b46-3-,58-4+;.

What are the key properties of (7Z,8E)-N-[4-[4-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-7,8-di(ethylidene)-N-(7,9,9-triphenylfluoren-2-yl)quinolin-3-amine;ethane?

(7Z,8E)-N-[4-[4-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-7,8-di(ethylidene)-N-(7,9,9-triphenylfluoren-2-yl)quinolin-3-amine;ethane has a molecular weight of 940.25 g/mol, XLogP of 16.93, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (7Z,8E)-N-[4-[4-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-7,8-di(ethylidene)-N-(7,9,9-triphenylfluoren-2-yl)quinolin-3-amine;ethane is sourced from PubChem (CID 145452364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).