N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-yloxyphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

C70H60N2O — CID 155614173

About N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-yloxyphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-yloxyphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 155614173) has the molecular formula C70H60N2O and a molecular weight of 945.26 g/mol. Its IUPAC name is N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-yloxyphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-yloxyphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
• PubChem CID: 155614173
• Molecular Formula: C70H60N2O
• Molecular Weight: 945.26 g/mol
• Exact Mass: 944.47
• IUPAC Name: N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-yloxyphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
• SMILES: CCC(C)c1ccc(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5)ccc3n4-c3ccc(OC(C)C)cc3)cc2)cc1
• InChI: InChI=1S/C70H60N2O/c1-7-47(4)48-17-19-50(20-18-48)51-21-23-53(24-22-51)55-29-41-68-64(43-55)65-44-56(30-42-69(65)72(68)59-35-38-61(39-36-59)73-46(2)3)54-27-33-58(34-28-54)71(57-31-25-52(26-32-57)49-13-9-8-10-14-49)60-37-40-63-62-15-11-12-16-66(62)70(5,6)67(63)45-60/h8-47H,7H2,1-6H3
• InChIKey: PDUVOOVQXMFBMZ-UHFFFAOYSA-N
• XLogP: 19.53
• TPSA: 17.40 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 12
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	945.26
LogP ≤ 5	19.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-yloxyphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?

The IUPAC name of N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-yloxyphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (CID 155614173) is N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-yloxyphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

What is the SMILES notation for N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-yloxyphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?

The canonical SMILES for N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-yloxyphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is CCC(C)c1ccc(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5)ccc3n4-c3ccc(OC(C)C)cc3)cc2)cc1.

What is the InChIKey of N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-yloxyphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?

The InChIKey is PDUVOOVQXMFBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H60N2O/c1-7-47(4)48-17-19-50(20-18-48)51-21-23-53(24-22-51)55-29-41-68-64(43-55)65-44-56(30-42-69(65)72(68)59-35-38-61(39-36-59)73-46(2)3)54-27-33-58(34-28-54)71(57-31-25-52(26-32-57)49-13-9-8-10-14-49)60-37-40-63-62-15-11-12-16-66(62)70(5,6)67(63)45-60/h8-47H,7H2,1-6H3.

What are the key properties of N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-yloxyphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?

N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-yloxyphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 945.26 g/mol, XLogP of 19.53, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-yloxyphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 155614173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).