5-N,9-N-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-7,7-dimethyl-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine

C103H72N4 — CID 118038912

About 5-N,9-N-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-7,7-dimethyl-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine

5-N,9-N-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-7,7-dimethyl-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine (PubChem CID 118038912) has the molecular formula C103H72N4 and a molecular weight of 1365.74 g/mol. Its IUPAC name is 5-N,9-N-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-7,7-dimethyl-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine.

Molecular Properties

• Compound Name: 5-N,9-N-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-7,7-dimethyl-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine
• PubChem CID: 118038912
• Molecular Formula: C103H72N4
• Molecular Weight: 1365.74 g/mol
• Exact Mass: 1364.58
• IUPAC Name: 5-N,9-N-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-7,7-dimethyl-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine
• SMILES: CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)c3)ccc2-c2c1cc(N(c1ccc(-c3ccccc3)cc1)c1cccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c1)c1ccccc21
• InChI: InChI=1S/C103H72N4/c1-103(2)95-67-87(104(81-51-43-75(44-52-81)69-25-9-3-10-26-69)83-37-23-39-85(65-83)106-97-57-47-77(71-29-13-5-14-30-71)61-91(97)92-62-78(48-58-98(92)106)72-31-15-6-16-32-72)55-56-90(95)102-89-42-22-21-41-88(89)101(68-96(102)103)105(82-53-45-76(46-54-82)70-27-11-4-12-28-70)84-38-24-40-86(66-84)107-99-59-49-79(73-33-17-7-18-34-73)63-93(99)94-64-80(50-60-100(94)107)74-35-19-8-20-36-74/h3-68H,1-2H3
• InChIKey: BOHWNXKTOSOPON-UHFFFAOYSA-N
• XLogP: 28.28
• TPSA: 16.34 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1365.74
LogP ≤ 5	28.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-N,9-N-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-7,7-dimethyl-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine?

The IUPAC name of 5-N,9-N-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-7,7-dimethyl-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine (CID 118038912) is 5-N,9-N-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-7,7-dimethyl-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine.

What is the SMILES notation for 5-N,9-N-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-7,7-dimethyl-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine?

The canonical SMILES for 5-N,9-N-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-7,7-dimethyl-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine is CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)c3)ccc2-c2c1cc(N(c1ccc(-c3ccccc3)cc1)c1cccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c1)c1ccccc21.

What is the InChIKey of 5-N,9-N-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-7,7-dimethyl-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine?

The InChIKey is BOHWNXKTOSOPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C103H72N4/c1-103(2)95-67-87(104(81-51-43-75(44-52-81)69-25-9-3-10-26-69)83-37-23-39-85(65-83)106-97-57-47-77(71-29-13-5-14-30-71)61-91(97)92-62-78(48-58-98(92)106)72-31-15-6-16-32-72)55-56-90(95)102-89-42-22-21-41-88(89)101(68-96(102)103)105(82-53-45-76(46-54-82)70-27-11-4-12-28-70)84-38-24-40-86(66-84)107-99-59-49-79(73-33-17-7-18-34-73)63-93(99)94-64-80(50-60-100(94)107)74-35-19-8-20-36-74/h3-68H,1-2H3.

What are the key properties of 5-N,9-N-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-7,7-dimethyl-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine?

5-N,9-N-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-7,7-dimethyl-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine has a molecular weight of 1365.74 g/mol, XLogP of 28.28, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N,9-N-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-7,7-dimethyl-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine is sourced from PubChem (CID 118038912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).