4-[4-(4-tert-butylphenyl)phenyl]-2-[4-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]-2-[4-(3-methoxyphenyl)phenyl]benzo[h]quinazoline;2-[4-(3-methoxyphenyl)phenyl]-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinazoline

C186H126N12O2 — CID 160841712

About 4-[4-(4-tert-butylphenyl)phenyl]-2-[4-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]-2-[4-(3-methoxyphenyl)phenyl]benzo[h]quinazoline;2-[4-(3-methoxyphenyl)phenyl]-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinazoline

4-[4-(4-tert-butylphenyl)phenyl]-2-[4-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]-2-[4-(3-methoxyphenyl)phenyl]benzo[h]quinazoline;2-[4-(3-methoxyphenyl)phenyl]-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinazoline (PubChem CID 160841712) has the molecular formula C186H126N12O2 and a molecular weight of 2561.14 g/mol. Its IUPAC name is 4-[4-(4-tert-butylphenyl)phenyl]-2-[4-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]-2-[4-(3-methoxyphenyl)phenyl]benzo[h]quinazoline;2-[4-(3-methoxyphenyl)phenyl]-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinazoline.

Molecular Properties

• Compound Name: 4-[4-(4-tert-butylphenyl)phenyl]-2-[4-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]-2-[4-(3-methoxyphenyl)phenyl]benzo[h]quinazoline;2-[4-(3-methoxyphenyl)phenyl]-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinazoline
• PubChem CID: 160841712
• Molecular Formula: C186H126N12O2
• Molecular Weight: 2561.14 g/mol
• Exact Mass: 2559.01
• IUPAC Name: 4-[4-(4-tert-butylphenyl)phenyl]-2-[4-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]-2-[4-(3-methoxyphenyl)phenyl]benzo[h]quinazoline;2-[4-(3-methoxyphenyl)phenyl]-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinazoline
• SMILES: CC(C)(C)c1ccc(-c2ccc(-c3nc(-c4ccc(-n5c6ccccc6c6c(-c7cccc8c7c7ccccc7n8-c7ccccc7)cccc65)cc4)nc4c3ccc3ccccc34)cc2)cc1.COc1cccc(-c2ccc(-c3nc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6cc(-c8ccccc8)ccc6n7-c6ccccc6)ccc54)c4ccc5ccccc5c4n3)cc2)c1.COc1cccc(-c2ccc(-c3nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c4ccc5ccccc5c4n3)cc2)c1
• InChI: InChI=1S/C67H44N4O.C64H46N4.C55H36N4O/c1-72-54-22-13-19-48(38-54)45-24-26-47(27-25-45)66-68-65-55-23-12-11-18-46(55)28-33-56(65)67(69-66)71-63-36-30-50(44-16-7-3-8-17-44)40-59(63)60-42-52(32-37-64(60)71)51-31-35-62-58(41-51)57-39-49(43-14-5-2-6-15-43)29-34-61(57)70(62)53-20-9-4-10-21-53;1-64(2,3)46-36-31-42(32-37-46)41-27-29-44(30-28-41)61-54-40-35-43-15-7-8-18-49(43)62(54)66-63(65-61)45-33-38-48(39-34-45)68-56-24-12-10-20-53(56)60-51(22-14-26-58(60)68)50-21-13-25-57-59(50)52-19-9-11-23-55(52)67(57)47-16-5-4-6-17-47;1-60-42-16-11-13-38(32-42)35-22-24-37(25-23-35)54-56-53-43-17-6-5-12-36(43)26-29-46(53)55(57-54)59-50-21-10-8-19-45(50)48-34-40(28-31-52(48)59)39-27-30-51-47(33-39)44-18-7-9-20-49(44)58(51)41-14-3-2-4-15-41/h2-42H,1H3;4-40H,1-3H3;2-34H,1H3
• InChIKey: SICWKXJJQJVIGQ-UHFFFAOYSA-N
• XLogP: 48.25
• TPSA: 125.38 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 20
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2561.14
LogP ≤ 5	48.25
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 4-[4-(4-tert-butylphenyl)phenyl]-2-[4-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]-2-[4-(3-methoxyphenyl)phenyl]benzo[h]quinazoline;2-[4-(3-methoxyphenyl)phenyl]-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinazoline?

The IUPAC name of 4-[4-(4-tert-butylphenyl)phenyl]-2-[4-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]-2-[4-(3-methoxyphenyl)phenyl]benzo[h]quinazoline;2-[4-(3-methoxyphenyl)phenyl]-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinazoline (CID 160841712) is 4-[4-(4-tert-butylphenyl)phenyl]-2-[4-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]-2-[4-(3-methoxyphenyl)phenyl]benzo[h]quinazoline;2-[4-(3-methoxyphenyl)phenyl]-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinazoline.

What is the SMILES notation for 4-[4-(4-tert-butylphenyl)phenyl]-2-[4-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]-2-[4-(3-methoxyphenyl)phenyl]benzo[h]quinazoline;2-[4-(3-methoxyphenyl)phenyl]-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinazoline?

The canonical SMILES for 4-[4-(4-tert-butylphenyl)phenyl]-2-[4-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]-2-[4-(3-methoxyphenyl)phenyl]benzo[h]quinazoline;2-[4-(3-methoxyphenyl)phenyl]-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinazoline is CC(C)(C)c1ccc(-c2ccc(-c3nc(-c4ccc(-n5c6ccccc6c6c(-c7cccc8c7c7ccccc7n8-c7ccccc7)cccc65)cc4)nc4c3ccc3ccccc34)cc2)cc1.COc1cccc(-c2ccc(-c3nc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6cc(-c8ccccc8)ccc6n7-c6ccccc6)ccc54)c4ccc5ccccc5c4n3)cc2)c1.COc1cccc(-c2ccc(-c3nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c4ccc5ccccc5c4n3)cc2)c1.

What is the InChIKey of 4-[4-(4-tert-butylphenyl)phenyl]-2-[4-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]-2-[4-(3-methoxyphenyl)phenyl]benzo[h]quinazoline;2-[4-(3-methoxyphenyl)phenyl]-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinazoline?

The InChIKey is SICWKXJJQJVIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H44N4O.C64H46N4.C55H36N4O/c1-72-54-22-13-19-48(38-54)45-24-26-47(27-25-45)66-68-65-55-23-12-11-18-46(55)28-33-56(65)67(69-66)71-63-36-30-50(44-16-7-3-8-17-44)40-59(63)60-42-52(32-37-64(60)71)51-31-35-62-58(41-51)57-39-49(43-14-5-2-6-15-43)29-34-61(57)70(62)53-20-9-4-10-21-53;1-64(2,3)46-36-31-42(32-37-46)41-27-29-44(30-28-41)61-54-40-35-43-15-7-8-18-49(43)62(54)66-63(65-61)45-33-38-48(39-34-45)68-56-24-12-10-20-53(56)60-51(22-14-26-58(60)68)50-21-13-25-57-59(50)52-19-9-11-23-55(52)67(57)47-16-5-4-6-17-47;1-60-42-16-11-13-38(32-42)35-22-24-37(25-23-35)54-56-53-43-17-6-5-12-36(43)26-29-46(53)55(57-54)59-50-21-10-8-19-45(50)48-34-40(28-31-52(48)59)39-27-30-51-47(33-39)44-18-7-9-20-49(44)58(51)41-14-3-2-4-15-41/h2-42H,1H3;4-40H,1-3H3;2-34H,1H3.

What are the key properties of 4-[4-(4-tert-butylphenyl)phenyl]-2-[4-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]-2-[4-(3-methoxyphenyl)phenyl]benzo[h]quinazoline;2-[4-(3-methoxyphenyl)phenyl]-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinazoline?

4-[4-(4-tert-butylphenyl)phenyl]-2-[4-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]-2-[4-(3-methoxyphenyl)phenyl]benzo[h]quinazoline;2-[4-(3-methoxyphenyl)phenyl]-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinazoline has a molecular weight of 2561.14 g/mol, XLogP of 48.25, 20 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(4-tert-butylphenyl)phenyl]-2-[4-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]-2-[4-(3-methoxyphenyl)phenyl]benzo[h]quinazoline;2-[4-(3-methoxyphenyl)phenyl]-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinazoline is sourced from PubChem (CID 160841712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).