2-N,7-N-bis(4-methylphenyl)-2-N,7-N-diphenyl-9H-fluorene-2,7-diamine;6-tert-butyl-1-N,1-N,4-N,4-N-tetrakis(4-phenylphenyl)naphthalene-1,4-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-diphenylfluorene-2,7-diamine;9-N,9-N,10-N,10-N-tetraphenylphenanthrene-9,10-diamine

C186H146N8 — CID 159352169

About 2-N,7-N-bis(4-methylphenyl)-2-N,7-N-diphenyl-9H-fluorene-2,7-diamine;6-tert-butyl-1-N,1-N,4-N,4-N-tetrakis(4-phenylphenyl)naphthalene-1,4-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-diphenylfluorene-2,7-diamine;9-N,9-N,10-N,10-N-tetraphenylphenanthrene-9,10-diamine

2-N,7-N-bis(4-methylphenyl)-2-N,7-N-diphenyl-9H-fluorene-2,7-diamine;6-tert-butyl-1-N,1-N,4-N,4-N-tetrakis(4-phenylphenyl)naphthalene-1,4-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-diphenylfluorene-2,7-diamine;9-N,9-N,10-N,10-N-tetraphenylphenanthrene-9,10-diamine (PubChem CID 159352169) has the molecular formula C186H146N8 and a molecular weight of 2493.27 g/mol. Its IUPAC name is 2-N,7-N-bis(4-methylphenyl)-2-N,7-N-diphenyl-9H-fluorene-2,7-diamine;6-tert-butyl-1-N,1-N,4-N,4-N-tetrakis(4-phenylphenyl)naphthalene-1,4-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-diphenylfluorene-2,7-diamine;9-N,9-N,10-N,10-N-tetraphenylphenanthrene-9,10-diamine.

Molecular Properties

• Compound Name: 2-N,7-N-bis(4-methylphenyl)-2-N,7-N-diphenyl-9H-fluorene-2,7-diamine;6-tert-butyl-1-N,1-N,4-N,4-N-tetrakis(4-phenylphenyl)naphthalene-1,4-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-diphenylfluorene-2,7-diamine;9-N,9-N,10-N,10-N-tetraphenylphenanthrene-9,10-diamine
• PubChem CID: 159352169
• Molecular Formula: C186H146N8
• Molecular Weight: 2493.27 g/mol
• Exact Mass: 2491.17
• IUPAC Name: 2-N,7-N-bis(4-methylphenyl)-2-N,7-N-diphenyl-9H-fluorene-2,7-diamine;6-tert-butyl-1-N,1-N,4-N,4-N-tetrakis(4-phenylphenyl)naphthalene-1,4-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-diphenylfluorene-2,7-diamine;9-N,9-N,10-N,10-N-tetraphenylphenanthrene-9,10-diamine
• SMILES: CC(C)(C)c1ccc2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)c2c1.CC1(C)c2cc(N(c3ccccc3)c3ccc4ccccc4c3)ccc2-c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc21.Cc1ccc(N(c2ccccc2)c2ccc3c(c2)Cc2cc(N(c4ccccc4)c4ccc(C)cc4)ccc2-3)cc1.c1ccc(N(c2ccccc2)c2c(N(c3ccccc3)c3ccccc3)c3ccccc3c3ccccc23)cc1
• InChI: InChI=1S/C62H50N2.C47H36N2.C39H32N2.C38H28N2/c1-62(2,3)53-32-41-58-59(44-53)61(64(56-37-28-51(29-38-56)47-20-12-6-13-21-47)57-39-30-52(31-40-57)48-22-14-7-15-23-48)43-42-60(58)63(54-33-24-49(25-34-54)45-16-8-4-9-17-45)55-35-26-50(27-36-55)46-18-10-5-11-19-46;1-47(2)45-31-41(48(37-17-5-3-6-18-37)39-23-21-33-13-9-11-15-35(33)29-39)25-27-43(45)44-28-26-42(32-46(44)47)49(38-19-7-4-8-20-38)40-24-22-34-14-10-12-16-36(34)30-40;1-28-13-17-34(18-14-28)40(32-9-5-3-6-10-32)36-21-23-38-30(26-36)25-31-27-37(22-24-39(31)38)41(33-11-7-4-8-12-33)35-19-15-29(2)16-20-35;1-5-17-29(18-6-1)39(30-19-7-2-8-20-30)37-35-27-15-13-25-33(35)34-26-14-16-28-36(34)38(37)40(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h4-44H,1-3H3;3-32H,1-2H3;3-24,26-27H,25H2,1-2H3;1-28H
• InChIKey: LHLQHCBNIYBNTE-UHFFFAOYSA-N
• XLogP: 52.73
• TPSA: 25.92 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 28
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2493.27
LogP ≤ 5	52.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diaminobenzene_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-bis(4-methylphenyl)-2-N,7-N-diphenyl-9H-fluorene-2,7-diamine;6-tert-butyl-1-N,1-N,4-N,4-N-tetrakis(4-phenylphenyl)naphthalene-1,4-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-diphenylfluorene-2,7-diamine;9-N,9-N,10-N,10-N-tetraphenylphenanthrene-9,10-diamine?

The IUPAC name of 2-N,7-N-bis(4-methylphenyl)-2-N,7-N-diphenyl-9H-fluorene-2,7-diamine;6-tert-butyl-1-N,1-N,4-N,4-N-tetrakis(4-phenylphenyl)naphthalene-1,4-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-diphenylfluorene-2,7-diamine;9-N,9-N,10-N,10-N-tetraphenylphenanthrene-9,10-diamine (CID 159352169) is 2-N,7-N-bis(4-methylphenyl)-2-N,7-N-diphenyl-9H-fluorene-2,7-diamine;6-tert-butyl-1-N,1-N,4-N,4-N-tetrakis(4-phenylphenyl)naphthalene-1,4-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-diphenylfluorene-2,7-diamine;9-N,9-N,10-N,10-N-tetraphenylphenanthrene-9,10-diamine.

What is the SMILES notation for 2-N,7-N-bis(4-methylphenyl)-2-N,7-N-diphenyl-9H-fluorene-2,7-diamine;6-tert-butyl-1-N,1-N,4-N,4-N-tetrakis(4-phenylphenyl)naphthalene-1,4-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-diphenylfluorene-2,7-diamine;9-N,9-N,10-N,10-N-tetraphenylphenanthrene-9,10-diamine?

The canonical SMILES for 2-N,7-N-bis(4-methylphenyl)-2-N,7-N-diphenyl-9H-fluorene-2,7-diamine;6-tert-butyl-1-N,1-N,4-N,4-N-tetrakis(4-phenylphenyl)naphthalene-1,4-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-diphenylfluorene-2,7-diamine;9-N,9-N,10-N,10-N-tetraphenylphenanthrene-9,10-diamine is CC(C)(C)c1ccc2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)c2c1.CC1(C)c2cc(N(c3ccccc3)c3ccc4ccccc4c3)ccc2-c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc21.Cc1ccc(N(c2ccccc2)c2ccc3c(c2)Cc2cc(N(c4ccccc4)c4ccc(C)cc4)ccc2-3)cc1.c1ccc(N(c2ccccc2)c2c(N(c3ccccc3)c3ccccc3)c3ccccc3c3ccccc23)cc1.

What is the InChIKey of 2-N,7-N-bis(4-methylphenyl)-2-N,7-N-diphenyl-9H-fluorene-2,7-diamine;6-tert-butyl-1-N,1-N,4-N,4-N-tetrakis(4-phenylphenyl)naphthalene-1,4-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-diphenylfluorene-2,7-diamine;9-N,9-N,10-N,10-N-tetraphenylphenanthrene-9,10-diamine?

The InChIKey is LHLQHCBNIYBNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H50N2.C47H36N2.C39H32N2.C38H28N2/c1-62(2,3)53-32-41-58-59(44-53)61(64(56-37-28-51(29-38-56)47-20-12-6-13-21-47)57-39-30-52(31-40-57)48-22-14-7-15-23-48)43-42-60(58)63(54-33-24-49(25-34-54)45-16-8-4-9-17-45)55-35-26-50(27-36-55)46-18-10-5-11-19-46;1-47(2)45-31-41(48(37-17-5-3-6-18-37)39-23-21-33-13-9-11-15-35(33)29-39)25-27-43(45)44-28-26-42(32-46(44)47)49(38-19-7-4-8-20-38)40-24-22-34-14-10-12-16-36(34)30-40;1-28-13-17-34(18-14-28)40(32-9-5-3-6-10-32)36-21-23-38-30(26-36)25-31-27-37(22-24-39(31)38)41(33-11-7-4-8-12-33)35-19-15-29(2)16-20-35;1-5-17-29(18-6-1)39(30-19-7-2-8-20-30)37-35-27-15-13-25-33(35)34-26-14-16-28-36(34)38(37)40(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h4-44H,1-3H3;3-32H,1-2H3;3-24,26-27H,25H2,1-2H3;1-28H.

What are the key properties of 2-N,7-N-bis(4-methylphenyl)-2-N,7-N-diphenyl-9H-fluorene-2,7-diamine;6-tert-butyl-1-N,1-N,4-N,4-N-tetrakis(4-phenylphenyl)naphthalene-1,4-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-diphenylfluorene-2,7-diamine;9-N,9-N,10-N,10-N-tetraphenylphenanthrene-9,10-diamine?

2-N,7-N-bis(4-methylphenyl)-2-N,7-N-diphenyl-9H-fluorene-2,7-diamine;6-tert-butyl-1-N,1-N,4-N,4-N-tetrakis(4-phenylphenyl)naphthalene-1,4-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-diphenylfluorene-2,7-diamine;9-N,9-N,10-N,10-N-tetraphenylphenanthrene-9,10-diamine has a molecular weight of 2493.27 g/mol, XLogP of 52.73, 28 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,7-N-bis(4-methylphenyl)-2-N,7-N-diphenyl-9H-fluorene-2,7-diamine;6-tert-butyl-1-N,1-N,4-N,4-N-tetrakis(4-phenylphenyl)naphthalene-1,4-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-diphenylfluorene-2,7-diamine;9-N,9-N,10-N,10-N-tetraphenylphenanthrene-9,10-diamine is sourced from PubChem (CID 159352169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).