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

C67H47N3 — CID 71038398

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

7-carbazol-9-yl-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 71038398) has the molecular formula C67H47N3 and a molecular weight of 894.13 g/mol. Its IUPAC name is 7-carbazol-9-yl-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 7-carbazol-9-yl-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-2-amine
• PubChem CID: 71038398
• Molecular Formula: C67H47N3
• Molecular Weight: 894.13 g/mol
• Exact Mass: 893.38
• IUPAC Name: 7-carbazol-9-yl-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-2-amine
• SMILES: CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4ccccc34)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
• InChI: InChI=1S/C67H47N3/c1-67(2)60-42-49(34-37-53(60)54-38-35-50(43-61(54)67)70-63-27-15-11-23-56(63)57-24-12-16-28-64(57)70)68(48-32-29-45(30-33-48)44-17-5-3-6-18-44)65-40-39-51(52-21-9-10-22-55(52)65)46-31-36-59-58-25-13-14-26-62(58)69(66(59)41-46)47-19-7-4-8-20-47/h3-43H,1-2H3
• InChIKey: ROLDASRDRYTFPM-UHFFFAOYSA-N
• XLogP: 18.14
• TPSA: 13.10 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	894.13
LogP ≤ 5	18.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 7-carbazol-9-yl-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-2-amine (CID 71038398) is 7-carbazol-9-yl-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-2-amine.

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

The canonical SMILES for 7-carbazol-9-yl-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-2-amine is CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4ccccc34)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21.

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

The InChIKey is ROLDASRDRYTFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H47N3/c1-67(2)60-42-49(34-37-53(60)54-38-35-50(43-61(54)67)70-63-27-15-11-23-56(63)57-24-12-16-28-64(57)70)68(48-32-29-45(30-33-48)44-17-5-3-6-18-44)65-40-39-51(52-21-9-10-22-55(52)65)46-31-36-59-58-25-13-14-26-62(58)69(66(59)41-46)47-19-7-4-8-20-47/h3-43H,1-2H3.

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

7-carbazol-9-yl-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 894.13 g/mol, XLogP of 18.14, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7-carbazol-9-yl-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 71038398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).