N-(9,9-dimethylfluoren-2-yl)-5,5,6,6-tetramethyl-N-phenylpicen-3-amine;N-phenyl-N-(5,5,6,6-tetramethylpicen-3-yl)dibenzothiophen-2-amine;9-[4-(5,5,6,6-tetramethylpicen-3-yl)phenyl]carbazole

C135H111N3S — CID 163664990

About N-(9,9-dimethylfluoren-2-yl)-5,5,6,6-tetramethyl-N-phenylpicen-3-amine;N-phenyl-N-(5,5,6,6-tetramethylpicen-3-yl)dibenzothiophen-2-amine;9-[4-(5,5,6,6-tetramethylpicen-3-yl)phenyl]carbazole

N-(9,9-dimethylfluoren-2-yl)-5,5,6,6-tetramethyl-N-phenylpicen-3-amine;N-phenyl-N-(5,5,6,6-tetramethylpicen-3-yl)dibenzothiophen-2-amine;9-[4-(5,5,6,6-tetramethylpicen-3-yl)phenyl]carbazole (PubChem CID 163664990) has the molecular formula C135H111N3S and a molecular weight of 1807.46 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-5,5,6,6-tetramethyl-N-phenylpicen-3-amine;N-phenyl-N-(5,5,6,6-tetramethylpicen-3-yl)dibenzothiophen-2-amine;9-[4-(5,5,6,6-tetramethylpicen-3-yl)phenyl]carbazole.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-5,5,6,6-tetramethyl-N-phenylpicen-3-amine;N-phenyl-N-(5,5,6,6-tetramethylpicen-3-yl)dibenzothiophen-2-amine;9-[4-(5,5,6,6-tetramethylpicen-3-yl)phenyl]carbazole
• PubChem CID: 163664990
• Molecular Formula: C135H111N3S
• Molecular Weight: 1807.46 g/mol
• Exact Mass: 1805.85
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-5,5,6,6-tetramethyl-N-phenylpicen-3-amine;N-phenyl-N-(5,5,6,6-tetramethylpicen-3-yl)dibenzothiophen-2-amine;9-[4-(5,5,6,6-tetramethylpicen-3-yl)phenyl]carbazole
• SMILES: CC1(C)c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc2-c2ccc3c(ccc4ccccc43)c2C1(C)C.CC1(C)c2cc(N(c3ccccc3)c3ccc4sc5ccccc5c4c3)ccc2-c2ccc3c(ccc4ccccc43)c2C1(C)C.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)C(C)(C)c3c-4ccc4c3ccc3ccccc34)cc21
• InChI: InChI=1S/C47H41N.C44H35NS.C44H35N/c1-45(2)41-19-13-12-18-36(41)37-24-21-32(28-42(37)45)48(31-15-8-7-9-16-31)33-22-25-38-40-27-26-35-34-17-11-10-14-30(34)20-23-39(35)44(40)47(5,6)46(3,4)43(38)29-33;1-43(2)39-27-31(45(29-13-6-5-7-14-29)30-20-25-41-38(26-30)35-16-10-11-17-40(35)46-41)19-22-34(39)37-24-23-33-32-15-9-8-12-28(32)18-21-36(33)42(37)44(43,3)4;1-43(2)39-27-30(28-17-21-31(22-18-28)45-40-15-9-7-13-35(40)36-14-8-10-16-41(36)45)20-23-34(39)38-26-25-33-32-12-6-5-11-29(32)19-24-37(33)42(38)44(43,3)4/h7-29H,1-6H3;5-27H,1-4H3;5-27H,1-4H3
• InChIKey: IXPMQYWWZHUQAJ-UHFFFAOYSA-N
• XLogP: 38.06
• TPSA: 11.41 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1807.46
LogP ≤ 5	38.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-5,5,6,6-tetramethyl-N-phenylpicen-3-amine;N-phenyl-N-(5,5,6,6-tetramethylpicen-3-yl)dibenzothiophen-2-amine;9-[4-(5,5,6,6-tetramethylpicen-3-yl)phenyl]carbazole?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-5,5,6,6-tetramethyl-N-phenylpicen-3-amine;N-phenyl-N-(5,5,6,6-tetramethylpicen-3-yl)dibenzothiophen-2-amine;9-[4-(5,5,6,6-tetramethylpicen-3-yl)phenyl]carbazole (CID 163664990) is N-(9,9-dimethylfluoren-2-yl)-5,5,6,6-tetramethyl-N-phenylpicen-3-amine;N-phenyl-N-(5,5,6,6-tetramethylpicen-3-yl)dibenzothiophen-2-amine;9-[4-(5,5,6,6-tetramethylpicen-3-yl)phenyl]carbazole.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-5,5,6,6-tetramethyl-N-phenylpicen-3-amine;N-phenyl-N-(5,5,6,6-tetramethylpicen-3-yl)dibenzothiophen-2-amine;9-[4-(5,5,6,6-tetramethylpicen-3-yl)phenyl]carbazole?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-5,5,6,6-tetramethyl-N-phenylpicen-3-amine;N-phenyl-N-(5,5,6,6-tetramethylpicen-3-yl)dibenzothiophen-2-amine;9-[4-(5,5,6,6-tetramethylpicen-3-yl)phenyl]carbazole is CC1(C)c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc2-c2ccc3c(ccc4ccccc43)c2C1(C)C.CC1(C)c2cc(N(c3ccccc3)c3ccc4sc5ccccc5c4c3)ccc2-c2ccc3c(ccc4ccccc43)c2C1(C)C.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)C(C)(C)c3c-4ccc4c3ccc3ccccc34)cc21.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-5,5,6,6-tetramethyl-N-phenylpicen-3-amine;N-phenyl-N-(5,5,6,6-tetramethylpicen-3-yl)dibenzothiophen-2-amine;9-[4-(5,5,6,6-tetramethylpicen-3-yl)phenyl]carbazole?

The InChIKey is IXPMQYWWZHUQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H41N.C44H35NS.C44H35N/c1-45(2)41-19-13-12-18-36(41)37-24-21-32(28-42(37)45)48(31-15-8-7-9-16-31)33-22-25-38-40-27-26-35-34-17-11-10-14-30(34)20-23-39(35)44(40)47(5,6)46(3,4)43(38)29-33;1-43(2)39-27-31(45(29-13-6-5-7-14-29)30-20-25-41-38(26-30)35-16-10-11-17-40(35)46-41)19-22-34(39)37-24-23-33-32-15-9-8-12-28(32)18-21-36(33)42(37)44(43,3)4;1-43(2)39-27-30(28-17-21-31(22-18-28)45-40-15-9-7-13-35(40)36-14-8-10-16-41(36)45)20-23-34(39)38-26-25-33-32-12-6-5-11-29(32)19-24-37(33)42(38)44(43,3)4/h7-29H,1-6H3;5-27H,1-4H3;5-27H,1-4H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-5,5,6,6-tetramethyl-N-phenylpicen-3-amine;N-phenyl-N-(5,5,6,6-tetramethylpicen-3-yl)dibenzothiophen-2-amine;9-[4-(5,5,6,6-tetramethylpicen-3-yl)phenyl]carbazole?

N-(9,9-dimethylfluoren-2-yl)-5,5,6,6-tetramethyl-N-phenylpicen-3-amine;N-phenyl-N-(5,5,6,6-tetramethylpicen-3-yl)dibenzothiophen-2-amine;9-[4-(5,5,6,6-tetramethylpicen-3-yl)phenyl]carbazole has a molecular weight of 1807.46 g/mol, XLogP of 38.06, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-5,5,6,6-tetramethyl-N-phenylpicen-3-amine;N-phenyl-N-(5,5,6,6-tetramethylpicen-3-yl)dibenzothiophen-2-amine;9-[4-(5,5,6,6-tetramethylpicen-3-yl)phenyl]carbazole is sourced from PubChem (CID 163664990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).