2-[2-(6-benzo[b]carbazol-5-ylnaphthalen-2-yl)quinazolin-4-yl]-7-phenylbenzo[c]carbazole;3-[2-(4-benzo[b]carbazol-5-ylphenyl)quinazolin-4-yl]-7-phenylbenzo[c]carbazole;5-[3-[2-(9,9-dimethylfluoren-2-yl)quinazolin-4-yl]naphthalen-1-yl]benzo[b]carbazole

C157H99N11 — CID 160512960

IUPAC2-[2-(6-benzo[b]carbazol-5-ylnaphthalen-2-yl)quinazolin-4-yl]-7-phenylbenzo[c]carbazole;3-[2-(4-benzo[b]carbazol-5-ylphenyl)quinazolin-4-yl]-7-phenylbenzo[c]carbazole;5-[3-[2-(9,9-dimethylfluoren-2-yl)quinazolin-4-yl]naphthalen-1-yl]benzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4cc(-n5c6ccccc6c6cc7ccccc7cc65)c5ccccc5c4)c4ccccc4n3)cc21.c1ccc(-n2c3ccccc3c3c4cc(-c5nc(-c6ccc7cc(-n8c9ccccc9c9cc%10ccccc%10cc98)ccc7c6)nc6ccccc56)ccc4ccc32)cc1.c1ccc(-n2c3ccccc3c3c4ccc(-c5nc(-c6ccc(-n7c8ccccc8c8cc9ccccc9cc87)cc6)nc6ccccc56)cc4ccc32)cc1
InChIInChI=1S/C56H34N4.C52H32N4.C49H33N3/c1-2-14-42(15-3-1)59-51-21-11-8-18-46(51)54-47-33-40(24-22-35(47)27-29-52(54)59)55-45-17-6-9-19-49(45)57-56(58-55)41-25-23-39-31-43(28-26-38(39)30-41)60-50-20-10-7-16-44(50)48-32-36-12-4-5-13-37(36)34-53(48)60;1-2-14-38(15-3-1)55-47-21-11-8-18-43(47)50-40-28-24-37(30-36(40)25-29-48(50)55)51-42-17-6-9-19-45(42)53-52(54-51)33-22-26-39(27-23-33)56-46-20-10-7-16-41(46)44-31-34-12-4-5-13-35(34)32-49(44)56;1-49(2)41-20-10-7-17-36(41)37-24-23-33(27-42(37)49)48-50-43-21-11-8-19-39(43)47(51-48)34-25-32-15-5-6-16-35(32)45(29-34)52-44-22-12-9-18-38(44)40-26-30-13-3-4-14-31(30)28-46(40)52/h1-34H;1-32H;3-29H,1-2H3
InChIKeyQTGZNNUORZWOON-UHFFFAOYSA-N
MW2139.60 g/mol
LogP40.76
Rot. Bonds11

About 2-[2-(6-benzo[b]carbazol-5-ylnaphthalen-2-yl)quinazolin-4-yl]-7-phenylbenzo[c]carbazole;3-[2-(4-benzo[b]carbazol-5-ylphenyl)quinazolin-4-yl]-7-phenylbenzo[c]carbazole;5-[3-[2-(9,9-dimethylfluoren-2-yl)quinazolin-4-yl]naphthalen-1-yl]benzo[b]carbazole

2-[2-(6-benzo[b]carbazol-5-ylnaphthalen-2-yl)quinazolin-4-yl]-7-phenylbenzo[c]carbazole;3-[2-(4-benzo[b]carbazol-5-ylphenyl)quinazolin-4-yl]-7-phenylbenzo[c]carbazole;5-[3-[2-(9,9-dimethylfluoren-2-yl)quinazolin-4-yl]naphthalen-1-yl]benzo[b]carbazole (PubChem CID 160512960) has the molecular formula C157H99N11 and a molecular weight of 2139.60 g/mol. Its IUPAC name is 2-[2-(6-benzo[b]carbazol-5-ylnaphthalen-2-yl)quinazolin-4-yl]-7-phenylbenzo[c]carbazole;3-[2-(4-benzo[b]carbazol-5-ylphenyl)quinazolin-4-yl]-7-phenylbenzo[c]carbazole;5-[3-[2-(9,9-dimethylfluoren-2-yl)quinazolin-4-yl]naphthalen-1-yl]benzo[b]carbazole.

Molecular Properties

Compound Name2-[2-(6-benzo[b]carbazol-5-ylnaphthalen-2-yl)quinazolin-4-yl]-7-phenylbenzo[c]carbazole;3-[2-(4-benzo[b]carbazol-5-ylphenyl)quinazolin-4-yl]-7-phenylbenzo[c]carbazole;5-[3-[2-(9,9-dimethylfluoren-2-yl)quinazolin-4-yl]naphthalen-1-yl]benzo[b]carbazole
PubChem CID160512960
Molecular FormulaC157H99N11
Molecular Weight2139.60 g/mol
Exact Mass2137.81
IUPAC Name2-[2-(6-benzo[b]carbazol-5-ylnaphthalen-2-yl)quinazolin-4-yl]-7-phenylbenzo[c]carbazole;3-[2-(4-benzo[b]carbazol-5-ylphenyl)quinazolin-4-yl]-7-phenylbenzo[c]carbazole;5-[3-[2-(9,9-dimethylfluoren-2-yl)quinazolin-4-yl]naphthalen-1-yl]benzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4cc(-n5c6ccccc6c6cc7ccccc7cc65)c5ccccc5c4)c4ccccc4n3)cc21.c1ccc(-n2c3ccccc3c3c4cc(-c5nc(-c6ccc7cc(-n8c9ccccc9c9cc%10ccccc%10cc98)ccc7c6)nc6ccccc56)ccc4ccc32)cc1.c1ccc(-n2c3ccccc3c3c4ccc(-c5nc(-c6ccc(-n7c8ccccc8c8cc9ccccc9cc87)cc6)nc6ccccc56)cc4ccc32)cc1
InChIInChI=1S/C56H34N4.C52H32N4.C49H33N3/c1-2-14-42(15-3-1)59-51-21-11-8-18-46(51)54-47-33-40(24-22-35(47)27-29-52(54)59)55-45-17-6-9-19-49(45)57-56(58-55)41-25-23-39-31-43(28-26-38(39)30-41)60-50-20-10-7-16-44(50)48-32-36-12-4-5-13-37(36)34-53(48)60;1-2-14-38(15-3-1)55-47-21-11-8-18-43(47)50-40-28-24-37(30-36(40)25-29-48(50)55)51-42-17-6-9-19-45(42)53-52(54-51)33-22-26-39(27-23-33)56-46-20-10-7-16-41(46)44-31-34-12-4-5-13-35(34)32-49(44)56;1-49(2)41-20-10-7-17-36(41)37-24-23-33(27-42(37)49)48-50-43-21-11-8-19-39(43)47(51-48)34-25-32-15-5-6-16-35(32)45(29-34)52-44-22-12-9-18-38(44)40-26-30-13-3-4-14-31(30)28-46(40)52/h1-34H;1-32H;3-29H,1-2H3
InChIKeyQTGZNNUORZWOON-UHFFFAOYSA-N
XLogP40.76
TPSA101.99 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms168
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002139.60
LogP ≤ 540.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 2-[2-(6-benzo[b]carbazol-5-ylnaphthalen-2-yl)quinazolin-4-yl]-7-phenylbenzo[c]carbazole;3-[2-(4-benzo[b]carbazol-5-ylphenyl)quinazolin-4-yl]-7-phenylbenzo[c]carbazole;5-[3-[2-(9,9-dimethylfluoren-2-yl)quinazolin-4-yl]naphthalen-1-yl]benzo[b]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-benzo[b]carbazol-5-ylnaphthalen-2-yl)quinazolin-4-yl]-7-phenylbenzo[c]carbazole;3-[2-(4-benzo[b]carbazol-5-ylphenyl)quinazolin-4-yl]-7-phenylbenzo[c]carbazole;5-[3-[2-(9,9-dimethylfluoren-2-yl)quinazolin-4-yl]naphthalen-1-yl]benzo[b]carbazole?
The IUPAC name of 2-[2-(6-benzo[b]carbazol-5-ylnaphthalen-2-yl)quinazolin-4-yl]-7-phenylbenzo[c]carbazole;3-[2-(4-benzo[b]carbazol-5-ylphenyl)quinazolin-4-yl]-7-phenylbenzo[c]carbazole;5-[3-[2-(9,9-dimethylfluoren-2-yl)quinazolin-4-yl]naphthalen-1-yl]benzo[b]carbazole (CID 160512960) is 2-[2-(6-benzo[b]carbazol-5-ylnaphthalen-2-yl)quinazolin-4-yl]-7-phenylbenzo[c]carbazole;3-[2-(4-benzo[b]carbazol-5-ylphenyl)quinazolin-4-yl]-7-phenylbenzo[c]carbazole;5-[3-[2-(9,9-dimethylfluoren-2-yl)quinazolin-4-yl]naphthalen-1-yl]benzo[b]carbazole.
What is the SMILES notation for 2-[2-(6-benzo[b]carbazol-5-ylnaphthalen-2-yl)quinazolin-4-yl]-7-phenylbenzo[c]carbazole;3-[2-(4-benzo[b]carbazol-5-ylphenyl)quinazolin-4-yl]-7-phenylbenzo[c]carbazole;5-[3-[2-(9,9-dimethylfluoren-2-yl)quinazolin-4-yl]naphthalen-1-yl]benzo[b]carbazole?
The canonical SMILES for 2-[2-(6-benzo[b]carbazol-5-ylnaphthalen-2-yl)quinazolin-4-yl]-7-phenylbenzo[c]carbazole;3-[2-(4-benzo[b]carbazol-5-ylphenyl)quinazolin-4-yl]-7-phenylbenzo[c]carbazole;5-[3-[2-(9,9-dimethylfluoren-2-yl)quinazolin-4-yl]naphthalen-1-yl]benzo[b]carbazole is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4cc(-n5c6ccccc6c6cc7ccccc7cc65)c5ccccc5c4)c4ccccc4n3)cc21.c1ccc(-n2c3ccccc3c3c4cc(-c5nc(-c6ccc7cc(-n8c9ccccc9c9cc%10ccccc%10cc98)ccc7c6)nc6ccccc56)ccc4ccc32)cc1.c1ccc(-n2c3ccccc3c3c4ccc(-c5nc(-c6ccc(-n7c8ccccc8c8cc9ccccc9cc87)cc6)nc6ccccc56)cc4ccc32)cc1.
What is the InChIKey of 2-[2-(6-benzo[b]carbazol-5-ylnaphthalen-2-yl)quinazolin-4-yl]-7-phenylbenzo[c]carbazole;3-[2-(4-benzo[b]carbazol-5-ylphenyl)quinazolin-4-yl]-7-phenylbenzo[c]carbazole;5-[3-[2-(9,9-dimethylfluoren-2-yl)quinazolin-4-yl]naphthalen-1-yl]benzo[b]carbazole?
The InChIKey is QTGZNNUORZWOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N4.C52H32N4.C49H33N3/c1-2-14-42(15-3-1)59-51-21-11-8-18-46(51)54-47-33-40(24-22-35(47)27-29-52(54)59)55-45-17-6-9-19-49(45)57-56(58-55)41-25-23-39-31-43(28-26-38(39)30-41)60-50-20-10-7-16-44(50)48-32-36-12-4-5-13-37(36)34-53(48)60;1-2-14-38(15-3-1)55-47-21-11-8-18-43(47)50-40-28-24-37(30-36(40)25-29-48(50)55)51-42-17-6-9-19-45(42)53-52(54-51)33-22-26-39(27-23-33)56-46-20-10-7-16-41(46)44-31-34-12-4-5-13-35(34)32-49(44)56;1-49(2)41-20-10-7-17-36(41)37-24-23-33(27-42(37)49)48-50-43-21-11-8-19-39(43)47(51-48)34-25-32-15-5-6-16-35(32)45(29-34)52-44-22-12-9-18-38(44)40-26-30-13-3-4-14-31(30)28-46(40)52/h1-34H;1-32H;3-29H,1-2H3.
What are the key properties of 2-[2-(6-benzo[b]carbazol-5-ylnaphthalen-2-yl)quinazolin-4-yl]-7-phenylbenzo[c]carbazole;3-[2-(4-benzo[b]carbazol-5-ylphenyl)quinazolin-4-yl]-7-phenylbenzo[c]carbazole;5-[3-[2-(9,9-dimethylfluoren-2-yl)quinazolin-4-yl]naphthalen-1-yl]benzo[b]carbazole?
2-[2-(6-benzo[b]carbazol-5-ylnaphthalen-2-yl)quinazolin-4-yl]-7-phenylbenzo[c]carbazole;3-[2-(4-benzo[b]carbazol-5-ylphenyl)quinazolin-4-yl]-7-phenylbenzo[c]carbazole;5-[3-[2-(9,9-dimethylfluoren-2-yl)quinazolin-4-yl]naphthalen-1-yl]benzo[b]carbazole has a molecular weight of 2139.60 g/mol, XLogP of 40.76, 11 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-benzo[b]carbazol-5-ylnaphthalen-2-yl)quinazolin-4-yl]-7-phenylbenzo[c]carbazole;3-[2-(4-benzo[b]carbazol-5-ylphenyl)quinazolin-4-yl]-7-phenylbenzo[c]carbazole;5-[3-[2-(9,9-dimethylfluoren-2-yl)quinazolin-4-yl]naphthalen-1-yl]benzo[b]carbazole is sourced from PubChem (CID 160512960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).