7-carbazol-9-yl-9,9-dimethyl-N,N-bis[4-(9-phenylcarbazol-2-yl)naphthalen-1-yl]fluoren-2-amine

C83H56N4 — CID 89213127

About 7-carbazol-9-yl-9,9-dimethyl-N,N-bis[4-(9-phenylcarbazol-2-yl)naphthalen-1-yl]fluoren-2-amine

7-carbazol-9-yl-9,9-dimethyl-N,N-bis[4-(9-phenylcarbazol-2-yl)naphthalen-1-yl]fluoren-2-amine (PubChem CID 89213127) has the molecular formula C83H56N4 and a molecular weight of 1109.39 g/mol. Its IUPAC name is 7-carbazol-9-yl-9,9-dimethyl-N,N-bis[4-(9-phenylcarbazol-2-yl)naphthalen-1-yl]fluoren-2-amine.

Molecular Properties

• Compound Name: 7-carbazol-9-yl-9,9-dimethyl-N,N-bis[4-(9-phenylcarbazol-2-yl)naphthalen-1-yl]fluoren-2-amine
• PubChem CID: 89213127
• Molecular Formula: C83H56N4
• Molecular Weight: 1109.39 g/mol
• Exact Mass: 1108.45
• IUPAC Name: 7-carbazol-9-yl-9,9-dimethyl-N,N-bis[4-(9-phenylcarbazol-2-yl)naphthalen-1-yl]fluoren-2-amine
• SMILES: CC1(C)c2cc(N(c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4ccccc34)c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4ccccc34)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
• InChI: InChI=1S/C83H56N4/c1-83(2)73-51-57(86-77-35-19-13-29-67(77)68-30-14-20-36-78(68)86)39-43-63(73)64-44-40-58(52-74(64)83)87(79-47-45-59(61-25-9-11-27-65(61)79)53-37-41-71-69-31-15-17-33-75(69)84(81(71)49-53)55-21-5-3-6-22-55)80-48-46-60(62-26-10-12-28-66(62)80)54-38-42-72-70-32-16-18-34-76(70)85(82(72)50-54)56-23-7-4-8-24-56/h3-52H,1-2H3
• InChIKey: LVAYZSDDEZOOMT-UHFFFAOYSA-N
• XLogP: 22.39
• TPSA: 18.03 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1109.39
LogP ≤ 5	22.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-carbazol-9-yl-9,9-dimethyl-N,N-bis[4-(9-phenylcarbazol-2-yl)naphthalen-1-yl]fluoren-2-amine?

The IUPAC name of 7-carbazol-9-yl-9,9-dimethyl-N,N-bis[4-(9-phenylcarbazol-2-yl)naphthalen-1-yl]fluoren-2-amine (CID 89213127) is 7-carbazol-9-yl-9,9-dimethyl-N,N-bis[4-(9-phenylcarbazol-2-yl)naphthalen-1-yl]fluoren-2-amine.

What is the SMILES notation for 7-carbazol-9-yl-9,9-dimethyl-N,N-bis[4-(9-phenylcarbazol-2-yl)naphthalen-1-yl]fluoren-2-amine?

The canonical SMILES for 7-carbazol-9-yl-9,9-dimethyl-N,N-bis[4-(9-phenylcarbazol-2-yl)naphthalen-1-yl]fluoren-2-amine is CC1(C)c2cc(N(c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4ccccc34)c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4ccccc34)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21.

What is the InChIKey of 7-carbazol-9-yl-9,9-dimethyl-N,N-bis[4-(9-phenylcarbazol-2-yl)naphthalen-1-yl]fluoren-2-amine?

The InChIKey is LVAYZSDDEZOOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H56N4/c1-83(2)73-51-57(86-77-35-19-13-29-67(77)68-30-14-20-36-78(68)86)39-43-63(73)64-44-40-58(52-74(64)83)87(79-47-45-59(61-25-9-11-27-65(61)79)53-37-41-71-69-31-15-17-33-75(69)84(81(71)49-53)55-21-5-3-6-22-55)80-48-46-60(62-26-10-12-28-66(62)80)54-38-42-72-70-32-16-18-34-76(70)85(82(72)50-54)56-23-7-4-8-24-56/h3-52H,1-2H3.

What are the key properties of 7-carbazol-9-yl-9,9-dimethyl-N,N-bis[4-(9-phenylcarbazol-2-yl)naphthalen-1-yl]fluoren-2-amine?

7-carbazol-9-yl-9,9-dimethyl-N,N-bis[4-(9-phenylcarbazol-2-yl)naphthalen-1-yl]fluoren-2-amine has a molecular weight of 1109.39 g/mol, XLogP of 22.39, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-carbazol-9-yl-9,9-dimethyl-N,N-bis[4-(9-phenylcarbazol-2-yl)naphthalen-1-yl]fluoren-2-amine is sourced from PubChem (CID 89213127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).