2-(9,9-dimethylfluoren-2-yl)-5-(3,6-diphenylquinoxalin-2-yl)benzo[b]carbazole;5-(7-naphthalen-2-yl-4-phenylquinazolin-2-yl)-2-triphenylen-2-ylbenzo[b]carbazole;5-(6-naphthalen-2-yl-4-pyridin-4-ylquinazolin-2-yl)-3-(9,9'-spirobi[fluorene]-2-yl)benzo[b]carbazole

C173H108N10 — CID 159188151

IUPAC2-(9,9-dimethylfluoren-2-yl)-5-(3,6-diphenylquinoxalin-2-yl)benzo[b]carbazole;5-(7-naphthalen-2-yl-4-phenylquinazolin-2-yl)-2-triphenylen-2-ylbenzo[b]carbazole;5-(6-naphthalen-2-yl-4-pyridin-4-ylquinazolin-2-yl)-3-(9,9'-spirobi[fluorene]-2-yl)benzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3cc5ccccc5cc3n4-c3nc4ccc(-c5ccccc5)cc4nc3-c3ccccc3)cc21.c1ccc(-c2nc(-n3c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4c4cc5ccccc5cc43)nc3cc(-c4ccc5ccccc5c4)ccc23)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3ccc4c5cc6ccccc6cc5n(-c5nc(-c6ccncc6)c6cc(-c7ccc8ccccc8c7)ccc6n5)c4c3)cc21
InChIInChI=1S/C64H38N4.C58H35N3.C51H35N3/c1-2-12-41-33-44(22-21-39(41)11-1)45-25-28-59-54(35-45)62(40-29-31-65-32-30-40)67-63(66-59)68-60-38-47(24-27-52(60)53-34-42-13-3-4-14-43(42)37-61(53)68)46-23-26-51-50-17-7-10-20-57(50)64(58(51)36-46)55-18-8-5-15-48(55)49-16-6-9-19-56(49)64;1-2-13-37(14-3-1)57-50-28-25-44(41-23-22-36-12-4-5-15-38(36)30-41)34-54(50)59-58(60-57)61-55-29-26-43(33-52(55)53-32-39-16-6-7-17-40(39)35-56(53)61)42-24-27-49-47-20-9-8-18-45(47)46-19-10-11-21-48(46)51(49)31-42;1-51(2)43-20-12-11-19-39(43)40-24-21-37(29-44(40)51)36-23-26-47-41(28-36)42-27-34-17-9-10-18-35(34)31-48(42)54(47)50-49(33-15-7-4-8-16-33)52-46-30-38(22-25-45(46)53-50)32-13-5-3-6-14-32/h1-38H;1-35H;3-31H,1-2H3
InChIKeyKNTCYOLKBHLQAR-UHFFFAOYSA-N
MW2326.84 g/mol
LogP44.45
Rot. Bonds12

About 2-(9,9-dimethylfluoren-2-yl)-5-(3,6-diphenylquinoxalin-2-yl)benzo[b]carbazole;5-(7-naphthalen-2-yl-4-phenylquinazolin-2-yl)-2-triphenylen-2-ylbenzo[b]carbazole;5-(6-naphthalen-2-yl-4-pyridin-4-ylquinazolin-2-yl)-3-(9,9'-spirobi[fluorene]-2-yl)benzo[b]carbazole

2-(9,9-dimethylfluoren-2-yl)-5-(3,6-diphenylquinoxalin-2-yl)benzo[b]carbazole;5-(7-naphthalen-2-yl-4-phenylquinazolin-2-yl)-2-triphenylen-2-ylbenzo[b]carbazole;5-(6-naphthalen-2-yl-4-pyridin-4-ylquinazolin-2-yl)-3-(9,9'-spirobi[fluorene]-2-yl)benzo[b]carbazole (PubChem CID 159188151) has the molecular formula C173H108N10 and a molecular weight of 2326.84 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-2-yl)-5-(3,6-diphenylquinoxalin-2-yl)benzo[b]carbazole;5-(7-naphthalen-2-yl-4-phenylquinazolin-2-yl)-2-triphenylen-2-ylbenzo[b]carbazole;5-(6-naphthalen-2-yl-4-pyridin-4-ylquinazolin-2-yl)-3-(9,9'-spirobi[fluorene]-2-yl)benzo[b]carbazole.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-2-yl)-5-(3,6-diphenylquinoxalin-2-yl)benzo[b]carbazole;5-(7-naphthalen-2-yl-4-phenylquinazolin-2-yl)-2-triphenylen-2-ylbenzo[b]carbazole;5-(6-naphthalen-2-yl-4-pyridin-4-ylquinazolin-2-yl)-3-(9,9'-spirobi[fluorene]-2-yl)benzo[b]carbazole
PubChem CID159188151
Molecular FormulaC173H108N10
Molecular Weight2326.84 g/mol
Exact Mass2324.88
IUPAC Name2-(9,9-dimethylfluoren-2-yl)-5-(3,6-diphenylquinoxalin-2-yl)benzo[b]carbazole;5-(7-naphthalen-2-yl-4-phenylquinazolin-2-yl)-2-triphenylen-2-ylbenzo[b]carbazole;5-(6-naphthalen-2-yl-4-pyridin-4-ylquinazolin-2-yl)-3-(9,9'-spirobi[fluorene]-2-yl)benzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3cc5ccccc5cc3n4-c3nc4ccc(-c5ccccc5)cc4nc3-c3ccccc3)cc21.c1ccc(-c2nc(-n3c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4c4cc5ccccc5cc43)nc3cc(-c4ccc5ccccc5c4)ccc23)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3ccc4c5cc6ccccc6cc5n(-c5nc(-c6ccncc6)c6cc(-c7ccc8ccccc8c7)ccc6n5)c4c3)cc21
InChIInChI=1S/C64H38N4.C58H35N3.C51H35N3/c1-2-12-41-33-44(22-21-39(41)11-1)45-25-28-59-54(35-45)62(40-29-31-65-32-30-40)67-63(66-59)68-60-38-47(24-27-52(60)53-34-42-13-3-4-14-43(42)37-61(53)68)46-23-26-51-50-17-7-10-20-57(50)64(58(51)36-46)55-18-8-5-15-48(55)49-16-6-9-19-56(49)64;1-2-13-37(14-3-1)57-50-28-25-44(41-23-22-36-12-4-5-15-38(36)30-41)34-54(50)59-58(60-57)61-55-29-26-43(33-52(55)53-32-39-16-6-7-17-40(39)35-56(53)61)42-24-27-49-47-20-9-8-18-45(47)46-19-10-11-21-48(46)51(49)31-42;1-51(2)43-20-12-11-19-39(43)40-24-21-37(29-44(40)51)36-23-26-47-41(28-36)42-27-34-17-9-10-18-35(34)31-48(42)54(47)50-49(33-15-7-4-8-16-33)52-46-30-38(22-25-45(46)53-50)32-13-5-3-6-14-32/h1-38H;1-35H;3-31H,1-2H3
InChIKeyKNTCYOLKBHLQAR-UHFFFAOYSA-N
XLogP44.45
TPSA105.02 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms183
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002326.84
LogP ≤ 544.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-(9,9-dimethylfluoren-2-yl)-5-(3,6-diphenylquinoxalin-2-yl)benzo[b]carbazole;5-(7-naphthalen-2-yl-4-phenylquinazolin-2-yl)-2-triphenylen-2-ylbenzo[b]carbazole;5-(6-naphthalen-2-yl-4-pyridin-4-ylquinazolin-2-yl)-3-(9,9'-spirobi[fluorene]-2-yl)benzo[b]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 129312343
5-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-3-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 146874125
1-(9,9-dimethylfluoren-4-yl)-5-(3-naphthalen-2-yl-6-phenylquinoxalin-2-yl)benzo[b]carbazole;5-[3-(9,9-dimethylfluoren-4-yl)-6-phenylquinoxalin-2-yl]-3-naphthalen-2-ylbenzo[b]carbazole;2-naphthalen-2-yl-5-[6-phenyl-3-(4-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole
CID 161055075
2-[2-(9-benzo[b]carbazol-5-ylbenzo[c]carbazol-7-yl)-3-(9,9-dimethylfluoren-2-yl)quinoxalin-6-yl]-9-carbazol-9-yl-7-[3-(9,9-dimethylfluoren-2-yl)quinoxalin-2-yl]benzo[c]carbazole
CID 166846343
5-(6,7-diphenyl-4-triphenylen-2-ylquinazolin-2-yl)-3-phenylbenzo[b]carbazole;5-(4-naphthalen-1-yl-7-naphthalen-2-ylquinazolin-2-yl)-2-(4-phenylphenyl)benzo[b]carbazole;5-(4-naphthalen-1-yl-6-naphthalen-2-ylquinazolin-2-yl)-1-triphenylen-2-ylbenzo[b]carbazole
CID 157483627
5-[4-(9,9-dimethylfluoren-2-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]benzo[b]carbazole
CID 161250463
5-(4-dibenzofuran-3-yl-6,7-diphenylquinazolin-2-yl)benzo[b]carbazole;5-[4-(9,9-dimethylfluoren-2-yl)-6-phenylquinazolin-2-yl]benzo[b]carbazole;5-[6-phenyl-4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[b]carbazole
CID 158111502
3,6-bis(9-phenylcarbazol-3-yl)-9-[4-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-6-yl]carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-2-yl]carbazole
CID 158717562
19-(4,6-diphenylquinazolin-2-yl)-5,5-dimethyl-19-azaheptacyclo[15.11.0.02,14.04,12.06,11.018,26.020,25]octacosa-1(17),2,4(12),6,8,10,13,15,18(26),20,22,24,27-tridecaene
CID 134337941
5-[4-(9,9-dimethylfluoren-4-yl)-7-phenylquinazolin-2-yl]benzo[b]carbazole
CID 139361929
12-(9,9-dimethylfluoren-2-yl)-16-(3-phenylquinoxalin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 139322555
5-(7-phenyl-4-triphenylen-2-ylquinazolin-2-yl)benzo[b]carbazole
CID 139361644

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-5-(3,6-diphenylquinoxalin-2-yl)benzo[b]carbazole;5-(7-naphthalen-2-yl-4-phenylquinazolin-2-yl)-2-triphenylen-2-ylbenzo[b]carbazole;5-(6-naphthalen-2-yl-4-pyridin-4-ylquinazolin-2-yl)-3-(9,9'-spirobi[fluorene]-2-yl)benzo[b]carbazole?
The IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-5-(3,6-diphenylquinoxalin-2-yl)benzo[b]carbazole;5-(7-naphthalen-2-yl-4-phenylquinazolin-2-yl)-2-triphenylen-2-ylbenzo[b]carbazole;5-(6-naphthalen-2-yl-4-pyridin-4-ylquinazolin-2-yl)-3-(9,9'-spirobi[fluorene]-2-yl)benzo[b]carbazole (CID 159188151) is 2-(9,9-dimethylfluoren-2-yl)-5-(3,6-diphenylquinoxalin-2-yl)benzo[b]carbazole;5-(7-naphthalen-2-yl-4-phenylquinazolin-2-yl)-2-triphenylen-2-ylbenzo[b]carbazole;5-(6-naphthalen-2-yl-4-pyridin-4-ylquinazolin-2-yl)-3-(9,9'-spirobi[fluorene]-2-yl)benzo[b]carbazole.
What is the SMILES notation for 2-(9,9-dimethylfluoren-2-yl)-5-(3,6-diphenylquinoxalin-2-yl)benzo[b]carbazole;5-(7-naphthalen-2-yl-4-phenylquinazolin-2-yl)-2-triphenylen-2-ylbenzo[b]carbazole;5-(6-naphthalen-2-yl-4-pyridin-4-ylquinazolin-2-yl)-3-(9,9'-spirobi[fluorene]-2-yl)benzo[b]carbazole?
The canonical SMILES for 2-(9,9-dimethylfluoren-2-yl)-5-(3,6-diphenylquinoxalin-2-yl)benzo[b]carbazole;5-(7-naphthalen-2-yl-4-phenylquinazolin-2-yl)-2-triphenylen-2-ylbenzo[b]carbazole;5-(6-naphthalen-2-yl-4-pyridin-4-ylquinazolin-2-yl)-3-(9,9'-spirobi[fluorene]-2-yl)benzo[b]carbazole is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3cc5ccccc5cc3n4-c3nc4ccc(-c5ccccc5)cc4nc3-c3ccccc3)cc21.c1ccc(-c2nc(-n3c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4c4cc5ccccc5cc43)nc3cc(-c4ccc5ccccc5c4)ccc23)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3ccc4c5cc6ccccc6cc5n(-c5nc(-c6ccncc6)c6cc(-c7ccc8ccccc8c7)ccc6n5)c4c3)cc21.
What is the InChIKey of 2-(9,9-dimethylfluoren-2-yl)-5-(3,6-diphenylquinoxalin-2-yl)benzo[b]carbazole;5-(7-naphthalen-2-yl-4-phenylquinazolin-2-yl)-2-triphenylen-2-ylbenzo[b]carbazole;5-(6-naphthalen-2-yl-4-pyridin-4-ylquinazolin-2-yl)-3-(9,9'-spirobi[fluorene]-2-yl)benzo[b]carbazole?
The InChIKey is KNTCYOLKBHLQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H38N4.C58H35N3.C51H35N3/c1-2-12-41-33-44(22-21-39(41)11-1)45-25-28-59-54(35-45)62(40-29-31-65-32-30-40)67-63(66-59)68-60-38-47(24-27-52(60)53-34-42-13-3-4-14-43(42)37-61(53)68)46-23-26-51-50-17-7-10-20-57(50)64(58(51)36-46)55-18-8-5-15-48(55)49-16-6-9-19-56(49)64;1-2-13-37(14-3-1)57-50-28-25-44(41-23-22-36-12-4-5-15-38(36)30-41)34-54(50)59-58(60-57)61-55-29-26-43(33-52(55)53-32-39-16-6-7-17-40(39)35-56(53)61)42-24-27-49-47-20-9-8-18-45(47)46-19-10-11-21-48(46)51(49)31-42;1-51(2)43-20-12-11-19-39(43)40-24-21-37(29-44(40)51)36-23-26-47-41(28-36)42-27-34-17-9-10-18-35(34)31-48(42)54(47)50-49(33-15-7-4-8-16-33)52-46-30-38(22-25-45(46)53-50)32-13-5-3-6-14-32/h1-38H;1-35H;3-31H,1-2H3.
What are the key properties of 2-(9,9-dimethylfluoren-2-yl)-5-(3,6-diphenylquinoxalin-2-yl)benzo[b]carbazole;5-(7-naphthalen-2-yl-4-phenylquinazolin-2-yl)-2-triphenylen-2-ylbenzo[b]carbazole;5-(6-naphthalen-2-yl-4-pyridin-4-ylquinazolin-2-yl)-3-(9,9'-spirobi[fluorene]-2-yl)benzo[b]carbazole?
2-(9,9-dimethylfluoren-2-yl)-5-(3,6-diphenylquinoxalin-2-yl)benzo[b]carbazole;5-(7-naphthalen-2-yl-4-phenylquinazolin-2-yl)-2-triphenylen-2-ylbenzo[b]carbazole;5-(6-naphthalen-2-yl-4-pyridin-4-ylquinazolin-2-yl)-3-(9,9'-spirobi[fluorene]-2-yl)benzo[b]carbazole has a molecular weight of 2326.84 g/mol, XLogP of 44.45, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylfluoren-2-yl)-5-(3,6-diphenylquinoxalin-2-yl)benzo[b]carbazole;5-(7-naphthalen-2-yl-4-phenylquinazolin-2-yl)-2-triphenylen-2-ylbenzo[b]carbazole;5-(6-naphthalen-2-yl-4-pyridin-4-ylquinazolin-2-yl)-3-(9,9'-spirobi[fluorene]-2-yl)benzo[b]carbazole is sourced from PubChem (CID 159188151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).