2-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)carbazol-9-yl]quinazoline-4-carbonitrile;2-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-7-fluoroquinoline-4-carbonitrile;2-[4-(4-phenanthren-3-ylcarbazol-9-yl)phenyl]quinazoline-4-carbonitrile;2-[4-(4-phenanthren-3-ylcarbazol-9-yl)phenyl]quinoline-4-carbonitrile

C160H99FN14 — CID 159756016

About 2-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)carbazol-9-yl]quinazoline-4-carbonitrile;2-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-7-fluoroquinoline-4-carbonitrile;2-[4-(4-phenanthren-3-ylcarbazol-9-yl)phenyl]quinazoline-4-carbonitrile;2-[4-(4-phenanthren-3-ylcarbazol-9-yl)phenyl]quinoline-4-carbonitrile

2-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)carbazol-9-yl]quinazoline-4-carbonitrile;2-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-7-fluoroquinoline-4-carbonitrile;2-[4-(4-phenanthren-3-ylcarbazol-9-yl)phenyl]quinazoline-4-carbonitrile;2-[4-(4-phenanthren-3-ylcarbazol-9-yl)phenyl]quinoline-4-carbonitrile (PubChem CID 159756016) has the molecular formula C160H99FN14 and a molecular weight of 2236.65 g/mol. Its IUPAC name is 2-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)carbazol-9-yl]quinazoline-4-carbonitrile;2-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-7-fluoroquinoline-4-carbonitrile;2-[4-(4-phenanthren-3-ylcarbazol-9-yl)phenyl]quinazoline-4-carbonitrile;2-[4-(4-phenanthren-3-ylcarbazol-9-yl)phenyl]quinoline-4-carbonitrile.

Molecular Properties

• Compound Name: 2-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)carbazol-9-yl]quinazoline-4-carbonitrile;2-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-7-fluoroquinoline-4-carbonitrile;2-[4-(4-phenanthren-3-ylcarbazol-9-yl)phenyl]quinazoline-4-carbonitrile;2-[4-(4-phenanthren-3-ylcarbazol-9-yl)phenyl]quinoline-4-carbonitrile
• PubChem CID: 159756016
• Molecular Formula: C160H99FN14
• Molecular Weight: 2236.65 g/mol
• Exact Mass: 2234.82
• IUPAC Name: 2-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)carbazol-9-yl]quinazoline-4-carbonitrile;2-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-7-fluoroquinoline-4-carbonitrile;2-[4-(4-phenanthren-3-ylcarbazol-9-yl)phenyl]quinazoline-4-carbonitrile;2-[4-(4-phenanthren-3-ylcarbazol-9-yl)phenyl]quinoline-4-carbonitrile
• SMILES: CC1(C)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3nc(C#N)c4ccccc4n3)cc2-c2c1ccc1ccccc21.CC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3cc(C#N)c4ccc(F)cc4n3)ccc21.N#Cc1cc(-c2ccc(-n3c4ccccc4c4c(-c5ccc6ccc7ccccc7c6c5)cccc43)cc2)nc2ccccc12.N#Cc1nc(-c2ccc(-n3c4ccccc4c4c(-c5ccc6ccc7ccccc7c6c5)cccc43)cc2)nc2ccccc12
• InChI: InChI=1S/C42H25N3.C41H24N4.C40H26N4.C37H24FN3/c43-26-31-25-39(44-38-13-5-3-10-34(31)38)29-20-22-32(23-21-29)45-40-14-6-4-11-36(40)42-35(12-7-15-41(42)45)30-19-18-28-17-16-27-8-1-2-9-33(27)37(28)24-30;42-25-37-33-10-3-5-13-36(33)43-41(44-37)28-20-22-30(23-21-28)45-38-14-6-4-11-34(38)40-32(12-7-15-39(40)45)29-19-18-27-17-16-26-8-1-2-9-31(26)35(27)24-29;1-40(2)32-18-16-25(22-31(32)38-27-10-4-3-9-24(27)15-19-33(38)40)26-17-20-37-30(21-26)28-11-6-8-14-36(28)44(37)39-42-34-13-7-5-12-29(34)35(23-41)43-39;1-37(2)31-9-5-3-7-27(31)29-17-22(11-15-32(29)37)23-12-16-35-30(18-23)28-8-4-6-10-34(28)41(35)36-19-24(21-39)26-14-13-25(38)20-33(26)40-36/h1-25H;1-24H;3-22H,1-2H3;3-20H,1-2H3
• InChIKey: NEGSRSUZOWOGGL-UHFFFAOYSA-N
• XLogP: 40.12
• TPSA: 192.22 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2236.65
LogP ≤ 5	40.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)carbazol-9-yl]quinazoline-4-carbonitrile;2-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-7-fluoroquinoline-4-carbonitrile;2-[4-(4-phenanthren-3-ylcarbazol-9-yl)phenyl]quinazoline-4-carbonitrile;2-[4-(4-phenanthren-3-ylcarbazol-9-yl)phenyl]quinoline-4-carbonitrile?

The IUPAC name of 2-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)carbazol-9-yl]quinazoline-4-carbonitrile;2-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-7-fluoroquinoline-4-carbonitrile;2-[4-(4-phenanthren-3-ylcarbazol-9-yl)phenyl]quinazoline-4-carbonitrile;2-[4-(4-phenanthren-3-ylcarbazol-9-yl)phenyl]quinoline-4-carbonitrile (CID 159756016) is 2-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)carbazol-9-yl]quinazoline-4-carbonitrile;2-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-7-fluoroquinoline-4-carbonitrile;2-[4-(4-phenanthren-3-ylcarbazol-9-yl)phenyl]quinazoline-4-carbonitrile;2-[4-(4-phenanthren-3-ylcarbazol-9-yl)phenyl]quinoline-4-carbonitrile.

What is the SMILES notation for 2-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)carbazol-9-yl]quinazoline-4-carbonitrile;2-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-7-fluoroquinoline-4-carbonitrile;2-[4-(4-phenanthren-3-ylcarbazol-9-yl)phenyl]quinazoline-4-carbonitrile;2-[4-(4-phenanthren-3-ylcarbazol-9-yl)phenyl]quinoline-4-carbonitrile?

The canonical SMILES for 2-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)carbazol-9-yl]quinazoline-4-carbonitrile;2-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-7-fluoroquinoline-4-carbonitrile;2-[4-(4-phenanthren-3-ylcarbazol-9-yl)phenyl]quinazoline-4-carbonitrile;2-[4-(4-phenanthren-3-ylcarbazol-9-yl)phenyl]quinoline-4-carbonitrile is CC1(C)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3nc(C#N)c4ccccc4n3)cc2-c2c1ccc1ccccc21.CC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3cc(C#N)c4ccc(F)cc4n3)ccc21.N#Cc1cc(-c2ccc(-n3c4ccccc4c4c(-c5ccc6ccc7ccccc7c6c5)cccc43)cc2)nc2ccccc12.N#Cc1nc(-c2ccc(-n3c4ccccc4c4c(-c5ccc6ccc7ccccc7c6c5)cccc43)cc2)nc2ccccc12.

What is the InChIKey of 2-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)carbazol-9-yl]quinazoline-4-carbonitrile;2-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-7-fluoroquinoline-4-carbonitrile;2-[4-(4-phenanthren-3-ylcarbazol-9-yl)phenyl]quinazoline-4-carbonitrile;2-[4-(4-phenanthren-3-ylcarbazol-9-yl)phenyl]quinoline-4-carbonitrile?

The InChIKey is NEGSRSUZOWOGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25N3.C41H24N4.C40H26N4.C37H24FN3/c43-26-31-25-39(44-38-13-5-3-10-34(31)38)29-20-22-32(23-21-29)45-40-14-6-4-11-36(40)42-35(12-7-15-41(42)45)30-19-18-28-17-16-27-8-1-2-9-33(27)37(28)24-30;42-25-37-33-10-3-5-13-36(33)43-41(44-37)28-20-22-30(23-21-28)45-38-14-6-4-11-34(38)40-32(12-7-15-39(40)45)29-19-18-27-17-16-26-8-1-2-9-31(26)35(27)24-29;1-40(2)32-18-16-25(22-31(32)38-27-10-4-3-9-24(27)15-19-33(38)40)26-17-20-37-30(21-26)28-11-6-8-14-36(28)44(37)39-42-34-13-7-5-12-29(34)35(23-41)43-39;1-37(2)31-9-5-3-7-27(31)29-17-22(11-15-32(29)37)23-12-16-35-30(18-23)28-8-4-6-10-34(28)41(35)36-19-24(21-39)26-14-13-25(38)20-33(26)40-36/h1-25H;1-24H;3-22H,1-2H3;3-20H,1-2H3.

What are the key properties of 2-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)carbazol-9-yl]quinazoline-4-carbonitrile;2-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-7-fluoroquinoline-4-carbonitrile;2-[4-(4-phenanthren-3-ylcarbazol-9-yl)phenyl]quinazoline-4-carbonitrile;2-[4-(4-phenanthren-3-ylcarbazol-9-yl)phenyl]quinoline-4-carbonitrile?

2-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)carbazol-9-yl]quinazoline-4-carbonitrile;2-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-7-fluoroquinoline-4-carbonitrile;2-[4-(4-phenanthren-3-ylcarbazol-9-yl)phenyl]quinazoline-4-carbonitrile;2-[4-(4-phenanthren-3-ylcarbazol-9-yl)phenyl]quinoline-4-carbonitrile has a molecular weight of 2236.65 g/mol, XLogP of 40.12, 10 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)carbazol-9-yl]quinazoline-4-carbonitrile;2-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-7-fluoroquinoline-4-carbonitrile;2-[4-(4-phenanthren-3-ylcarbazol-9-yl)phenyl]quinazoline-4-carbonitrile;2-[4-(4-phenanthren-3-ylcarbazol-9-yl)phenyl]quinoline-4-carbonitrile is sourced from PubChem (CID 159756016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).