3-(4-carbazol-9-ylcarbazol-9-yl)-9-(3-carbazol-9-ylphenyl)carbazole;4-carbazol-9-yl-9-(6-carbazol-9-yl-9,9-dimethylfluoren-3-yl)carbazole;4-carbazol-9-yl-9-(6-carbazol-9-ylphenanthren-3-yl)carbazole

C155H100N10 — CID 158770389

About 3-(4-carbazol-9-ylcarbazol-9-yl)-9-(3-carbazol-9-ylphenyl)carbazole;4-carbazol-9-yl-9-(6-carbazol-9-yl-9,9-dimethylfluoren-3-yl)carbazole;4-carbazol-9-yl-9-(6-carbazol-9-ylphenanthren-3-yl)carbazole

3-(4-carbazol-9-ylcarbazol-9-yl)-9-(3-carbazol-9-ylphenyl)carbazole;4-carbazol-9-yl-9-(6-carbazol-9-yl-9,9-dimethylfluoren-3-yl)carbazole;4-carbazol-9-yl-9-(6-carbazol-9-ylphenanthren-3-yl)carbazole (PubChem CID 158770389) has the molecular formula C155H100N10 and a molecular weight of 2102.57 g/mol. Its IUPAC name is 3-(4-carbazol-9-ylcarbazol-9-yl)-9-(3-carbazol-9-ylphenyl)carbazole;4-carbazol-9-yl-9-(6-carbazol-9-yl-9,9-dimethylfluoren-3-yl)carbazole;4-carbazol-9-yl-9-(6-carbazol-9-ylphenanthren-3-yl)carbazole.

Molecular Properties

• Compound Name: 3-(4-carbazol-9-ylcarbazol-9-yl)-9-(3-carbazol-9-ylphenyl)carbazole;4-carbazol-9-yl-9-(6-carbazol-9-yl-9,9-dimethylfluoren-3-yl)carbazole;4-carbazol-9-yl-9-(6-carbazol-9-ylphenanthren-3-yl)carbazole
• PubChem CID: 158770389
• Molecular Formula: C155H100N10
• Molecular Weight: 2102.57 g/mol
• Exact Mass: 2100.81
• IUPAC Name: 3-(4-carbazol-9-ylcarbazol-9-yl)-9-(3-carbazol-9-ylphenyl)carbazole;4-carbazol-9-yl-9-(6-carbazol-9-yl-9,9-dimethylfluoren-3-yl)carbazole;4-carbazol-9-yl-9-(6-carbazol-9-ylphenanthren-3-yl)carbazole
• SMILES: CC1(C)c2ccc(-n3c4ccccc4c4ccccc43)cc2-c2cc(-n3c4ccccc4c4c(-n5c6ccccc6c6ccccc65)cccc43)ccc21.c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5c(-n6c7ccccc7c7ccccc76)cccc54)ccc32)c1.c1ccc2c(c1)c1ccccc1n2-c1ccc2ccc3ccc(-n4c5ccccc5c5c(-n6c7ccccc7c7ccccc76)cccc54)cc3c2c1
• InChI: InChI=1S/C54H34N4.C51H35N3.C50H31N3/c1-7-23-45-38(17-1)39-18-2-8-24-46(39)55(45)35-15-13-16-36(33-35)56-47-25-9-5-21-42(47)44-34-37(31-32-51(44)56)57-50-28-12-6-22-43(50)54-52(57)29-14-30-53(54)58-48-26-10-3-19-40(48)41-20-4-11-27-49(41)58;1-51(2)41-28-26-32(52-43-19-8-3-14-34(43)35-15-4-9-20-44(35)52)30-39(41)40-31-33(27-29-42(40)51)53-47-23-12-7-18-38(47)50-48(53)24-13-25-49(50)54-45-21-10-5-16-36(45)37-17-6-11-22-46(37)54;1-6-17-43-36(12-1)37-13-2-7-18-44(37)51(43)34-28-26-32-24-25-33-27-29-35(31-42(33)41(32)30-34)52-47-21-10-5-16-40(47)50-48(52)22-11-23-49(50)53-45-19-8-3-14-38(45)39-15-4-9-20-46(39)53/h1-34H;3-31H,1-2H3;1-31H
• InChIKey: IPUDZTAQTXZQDL-UHFFFAOYSA-N
• XLogP: 40.64
• TPSA: 49.30 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2102.57
LogP ≤ 5	40.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(4-carbazol-9-ylcarbazol-9-yl)-9-(3-carbazol-9-ylphenyl)carbazole;4-carbazol-9-yl-9-(6-carbazol-9-yl-9,9-dimethylfluoren-3-yl)carbazole;4-carbazol-9-yl-9-(6-carbazol-9-ylphenanthren-3-yl)carbazole?

The IUPAC name of 3-(4-carbazol-9-ylcarbazol-9-yl)-9-(3-carbazol-9-ylphenyl)carbazole;4-carbazol-9-yl-9-(6-carbazol-9-yl-9,9-dimethylfluoren-3-yl)carbazole;4-carbazol-9-yl-9-(6-carbazol-9-ylphenanthren-3-yl)carbazole (CID 158770389) is 3-(4-carbazol-9-ylcarbazol-9-yl)-9-(3-carbazol-9-ylphenyl)carbazole;4-carbazol-9-yl-9-(6-carbazol-9-yl-9,9-dimethylfluoren-3-yl)carbazole;4-carbazol-9-yl-9-(6-carbazol-9-ylphenanthren-3-yl)carbazole.

What is the SMILES notation for 3-(4-carbazol-9-ylcarbazol-9-yl)-9-(3-carbazol-9-ylphenyl)carbazole;4-carbazol-9-yl-9-(6-carbazol-9-yl-9,9-dimethylfluoren-3-yl)carbazole;4-carbazol-9-yl-9-(6-carbazol-9-ylphenanthren-3-yl)carbazole?

The canonical SMILES for 3-(4-carbazol-9-ylcarbazol-9-yl)-9-(3-carbazol-9-ylphenyl)carbazole;4-carbazol-9-yl-9-(6-carbazol-9-yl-9,9-dimethylfluoren-3-yl)carbazole;4-carbazol-9-yl-9-(6-carbazol-9-ylphenanthren-3-yl)carbazole is CC1(C)c2ccc(-n3c4ccccc4c4ccccc43)cc2-c2cc(-n3c4ccccc4c4c(-n5c6ccccc6c6ccccc65)cccc43)ccc21.c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5c(-n6c7ccccc7c7ccccc76)cccc54)ccc32)c1.c1ccc2c(c1)c1ccccc1n2-c1ccc2ccc3ccc(-n4c5ccccc5c5c(-n6c7ccccc7c7ccccc76)cccc54)cc3c2c1.

What is the InChIKey of 3-(4-carbazol-9-ylcarbazol-9-yl)-9-(3-carbazol-9-ylphenyl)carbazole;4-carbazol-9-yl-9-(6-carbazol-9-yl-9,9-dimethylfluoren-3-yl)carbazole;4-carbazol-9-yl-9-(6-carbazol-9-ylphenanthren-3-yl)carbazole?

The InChIKey is IPUDZTAQTXZQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N4.C51H35N3.C50H31N3/c1-7-23-45-38(17-1)39-18-2-8-24-46(39)55(45)35-15-13-16-36(33-35)56-47-25-9-5-21-42(47)44-34-37(31-32-51(44)56)57-50-28-12-6-22-43(50)54-52(57)29-14-30-53(54)58-48-26-10-3-19-40(48)41-20-4-11-27-49(41)58;1-51(2)41-28-26-32(52-43-19-8-3-14-34(43)35-15-4-9-20-44(35)52)30-39(41)40-31-33(27-29-42(40)51)53-47-23-12-7-18-38(47)50-48(53)24-13-25-49(50)54-45-21-10-5-16-36(45)37-17-6-11-22-46(37)54;1-6-17-43-36(12-1)37-13-2-7-18-44(37)51(43)34-28-26-32-24-25-33-27-29-35(31-42(33)41(32)30-34)52-47-21-10-5-16-40(47)50-48(52)22-11-23-49(50)53-45-19-8-3-14-38(45)39-15-4-9-20-46(39)53/h1-34H;3-31H,1-2H3;1-31H.

What are the key properties of 3-(4-carbazol-9-ylcarbazol-9-yl)-9-(3-carbazol-9-ylphenyl)carbazole;4-carbazol-9-yl-9-(6-carbazol-9-yl-9,9-dimethylfluoren-3-yl)carbazole;4-carbazol-9-yl-9-(6-carbazol-9-ylphenanthren-3-yl)carbazole?

3-(4-carbazol-9-ylcarbazol-9-yl)-9-(3-carbazol-9-ylphenyl)carbazole;4-carbazol-9-yl-9-(6-carbazol-9-yl-9,9-dimethylfluoren-3-yl)carbazole;4-carbazol-9-yl-9-(6-carbazol-9-ylphenanthren-3-yl)carbazole has a molecular weight of 2102.57 g/mol, XLogP of 40.64, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-carbazol-9-ylcarbazol-9-yl)-9-(3-carbazol-9-ylphenyl)carbazole;4-carbazol-9-yl-9-(6-carbazol-9-yl-9,9-dimethylfluoren-3-yl)carbazole;4-carbazol-9-yl-9-(6-carbazol-9-ylphenanthren-3-yl)carbazole is sourced from PubChem (CID 158770389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).