7,9,9-trimethyl-N-[4-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)-7,8-dihydrofluoren-2-amine

C62H48N2 — CID 146211458

About 7,9,9-trimethyl-N-[4-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)-7,8-dihydrofluoren-2-amine

7,9,9-trimethyl-N-[4-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)-7,8-dihydrofluoren-2-amine (PubChem CID 146211458) has the molecular formula C62H48N2 and a molecular weight of 821.08 g/mol. Its IUPAC name is 7,9,9-trimethyl-N-[4-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)-7,8-dihydrofluoren-2-amine.

Molecular Properties

• Compound Name: 7,9,9-trimethyl-N-[4-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)-7,8-dihydrofluoren-2-amine
• PubChem CID: 146211458
• Molecular Formula: C62H48N2
• Molecular Weight: 821.08 g/mol
• Exact Mass: 820.38
• IUPAC Name: 7,9,9-trimethyl-N-[4-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)-7,8-dihydrofluoren-2-amine
• SMILES: CC1C=CC2=C(C1)C(C)(C)c1cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccc6c(c5)c5c7ccccc7ccc5n6-c5ccccc5)cc4)cc3)ccc12
• InChI: InChI=1S/C62H48N2/c1-41-18-34-54-55-35-33-52(40-58(55)62(2,3)57(54)38-41)63(50-29-23-44(24-30-50)42-12-6-4-7-13-42)51-31-25-45(26-32-51)43-19-21-46(22-20-43)48-28-36-59-56(39-48)61-53-17-11-10-14-47(53)27-37-60(61)64(59)49-15-8-5-9-16-49/h4-37,39-41H,38H2,1-3H3
• InChIKey: SAXWACKCXYBDPD-UHFFFAOYSA-N
• XLogP: 17.05
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	821.08
LogP ≤ 5	17.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 7,9,9-trimethyl-N-[4-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)-7,8-dihydrofluoren-2-amine?

The IUPAC name of 7,9,9-trimethyl-N-[4-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)-7,8-dihydrofluoren-2-amine (CID 146211458) is 7,9,9-trimethyl-N-[4-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)-7,8-dihydrofluoren-2-amine.

What is the SMILES notation for 7,9,9-trimethyl-N-[4-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)-7,8-dihydrofluoren-2-amine?

The canonical SMILES for 7,9,9-trimethyl-N-[4-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)-7,8-dihydrofluoren-2-amine is CC1C=CC2=C(C1)C(C)(C)c1cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccc6c(c5)c5c7ccccc7ccc5n6-c5ccccc5)cc4)cc3)ccc12.

What is the InChIKey of 7,9,9-trimethyl-N-[4-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)-7,8-dihydrofluoren-2-amine?

The InChIKey is SAXWACKCXYBDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H48N2/c1-41-18-34-54-55-35-33-52(40-58(55)62(2,3)57(54)38-41)63(50-29-23-44(24-30-50)42-12-6-4-7-13-42)51-31-25-45(26-32-51)43-19-21-46(22-20-43)48-28-36-59-56(39-48)61-53-17-11-10-14-47(53)27-37-60(61)64(59)49-15-8-5-9-16-49/h4-37,39-41H,38H2,1-3H3.

What are the key properties of 7,9,9-trimethyl-N-[4-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)-7,8-dihydrofluoren-2-amine?

7,9,9-trimethyl-N-[4-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)-7,8-dihydrofluoren-2-amine has a molecular weight of 821.08 g/mol, XLogP of 17.05, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7,9,9-trimethyl-N-[4-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)-7,8-dihydrofluoren-2-amine is sourced from PubChem (CID 146211458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).