N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-7-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine

C74H52N2 — CID 134488038

About N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-7-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine

N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-7-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine (PubChem CID 134488038) has the molecular formula C74H52N2 and a molecular weight of 969.24 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-7-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-7-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
• PubChem CID: 134488038
• Molecular Formula: C74H52N2
• Molecular Weight: 969.24 g/mol
• Exact Mass: 968.41
• IUPAC Name: N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-7-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
• SMILES: CC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)cc21
• InChI: InChI=1S/C74H52N2/c1-73(2)69-46-54(52-31-30-49-18-12-13-19-51(49)44-52)34-40-62(69)63-41-38-60(48-70(63)73)75(58-36-32-50(33-37-58)53-35-43-72-66(45-53)64-27-15-17-29-71(64)76(72)57-24-10-5-11-25-57)59-39-42-68-65(47-59)61-26-14-16-28-67(61)74(68,55-20-6-3-7-21-55)56-22-8-4-9-23-56/h3-48H,1-2H3
• InChIKey: ZCAXLDZFLOTLLW-UHFFFAOYSA-N
• XLogP: 19.41
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	969.24
LogP ≤ 5	19.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-7-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine?

The IUPAC name of N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-7-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine (CID 134488038) is N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-7-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine.

What is the SMILES notation for N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-7-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine?

The canonical SMILES for N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-7-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine is CC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)cc21.

What is the InChIKey of N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-7-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine?

The InChIKey is ZCAXLDZFLOTLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H52N2/c1-73(2)69-46-54(52-31-30-49-18-12-13-19-51(49)44-52)34-40-62(69)63-41-38-60(48-70(63)73)75(58-36-32-50(33-37-58)53-35-43-72-66(45-53)64-27-15-17-29-71(64)76(72)57-24-10-5-11-25-57)59-39-42-68-65(47-59)61-26-14-16-28-67(61)74(68,55-20-6-3-7-21-55)56-22-8-4-9-23-56/h3-48H,1-2H3.

What are the key properties of N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-7-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine?

N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-7-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine has a molecular weight of 969.24 g/mol, XLogP of 19.41, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-7-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 134488038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).