2-(3-carbazol-9-ylcarbazol-9-yl)-4-[6-(3-carbazol-9-ylcarbazol-9-yl)naphthalen-2-yl]benzo[h]quinazoline

C70H42N6 — CID 121401988

IUPAC2-(3-carbazol-9-ylcarbazol-9-yl)-4-[6-(3-carbazol-9-ylcarbazol-9-yl)naphthalen-2-yl]benzo[h]quinazoline
SMILESc1ccc2c(c1)ccc1c(-c3ccc4cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)ccc4c3)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)nc12
InChIInChI=1S/C70H42N6/c1-2-16-50-43(15-1)32-36-57-68(71-70(72-69(50)57)76-65-28-14-8-22-56(65)59-42-49(35-38-67(59)76)75-62-25-11-5-19-53(62)54-20-6-12-26-63(54)75)46-30-29-45-40-47(33-31-44(45)39-46)73-64-27-13-7-21-55(64)58-41-48(34-37-66(58)73)74-60-23-9-3-17-51(60)52-18-4-10-24-61(52)74/h1-42H
InChIKeyXQAZCQWYBNAZMH-UHFFFAOYSA-N
MW967.15 g/mol
LogP17.99
Rot. Bonds5

About 2-(3-carbazol-9-ylcarbazol-9-yl)-4-[6-(3-carbazol-9-ylcarbazol-9-yl)naphthalen-2-yl]benzo[h]quinazoline

2-(3-carbazol-9-ylcarbazol-9-yl)-4-[6-(3-carbazol-9-ylcarbazol-9-yl)naphthalen-2-yl]benzo[h]quinazoline (PubChem CID 121401988) has the molecular formula C70H42N6 and a molecular weight of 967.15 g/mol. Its IUPAC name is 2-(3-carbazol-9-ylcarbazol-9-yl)-4-[6-(3-carbazol-9-ylcarbazol-9-yl)naphthalen-2-yl]benzo[h]quinazoline.

Molecular Properties

Compound Name2-(3-carbazol-9-ylcarbazol-9-yl)-4-[6-(3-carbazol-9-ylcarbazol-9-yl)naphthalen-2-yl]benzo[h]quinazoline
PubChem CID121401988
Molecular FormulaC70H42N6
Molecular Weight967.15 g/mol
Exact Mass966.35
IUPAC Name2-(3-carbazol-9-ylcarbazol-9-yl)-4-[6-(3-carbazol-9-ylcarbazol-9-yl)naphthalen-2-yl]benzo[h]quinazoline
SMILESc1ccc2c(c1)ccc1c(-c3ccc4cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)ccc4c3)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)nc12
InChIInChI=1S/C70H42N6/c1-2-16-50-43(15-1)32-36-57-68(71-70(72-69(50)57)76-65-28-14-8-22-56(65)59-42-49(35-38-67(59)76)75-62-25-11-5-19-53(62)54-20-6-12-26-63(54)75)46-30-29-45-40-47(33-31-44(45)39-46)73-64-27-13-7-21-55(64)58-41-48(34-37-66(58)73)74-60-23-9-3-17-51(60)52-18-4-10-24-61(52)74/h1-42H
InChIKeyXQAZCQWYBNAZMH-UHFFFAOYSA-N
XLogP17.99
TPSA45.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500967.15
LogP ≤ 517.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[6-(3-carbazol-9-ylcarbazol-9-yl)naphthalen-2-yl]-2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzo[h]quinazoline
CID 121401991
2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline
CID 121402159
2-(3-naphthalen-2-ylcarbazol-9-yl)-4-phenylbenzo[h]quinazoline
CID 122497106
2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline
CID 121465327
4-phenyl-2,8-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinazoline
CID 134189759
2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4-(4-phenylphenyl)benzo[h]quinazoline
CID 130355727
2-benzo[c]carbazol-7-yl-5-(4-phenylbenzo[h]quinazolin-2-yl)benzo[b]carbazole
CID 146375723
2-[3-(6-naphthalen-1-ylnaphthalen-2-yl)carbazol-9-yl]-4-phenylbenzo[h]quinazoline
CID 122497102
2-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]-4-(4-phenylphenyl)benzo[h]quinazoline
CID 121402019
4-phenyl-2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzo[h]quinazoline
CID 121402040
2,4-bis[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzo[h]quinazoline
CID 121401985
7-phenyl-10-[9-(4-phenylbenzo[h]quinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole
CID 155153254

Frequently Asked Questions

What is the IUPAC name of 2-(3-carbazol-9-ylcarbazol-9-yl)-4-[6-(3-carbazol-9-ylcarbazol-9-yl)naphthalen-2-yl]benzo[h]quinazoline?
The IUPAC name of 2-(3-carbazol-9-ylcarbazol-9-yl)-4-[6-(3-carbazol-9-ylcarbazol-9-yl)naphthalen-2-yl]benzo[h]quinazoline (CID 121401988) is 2-(3-carbazol-9-ylcarbazol-9-yl)-4-[6-(3-carbazol-9-ylcarbazol-9-yl)naphthalen-2-yl]benzo[h]quinazoline.
What is the SMILES notation for 2-(3-carbazol-9-ylcarbazol-9-yl)-4-[6-(3-carbazol-9-ylcarbazol-9-yl)naphthalen-2-yl]benzo[h]quinazoline?
The canonical SMILES for 2-(3-carbazol-9-ylcarbazol-9-yl)-4-[6-(3-carbazol-9-ylcarbazol-9-yl)naphthalen-2-yl]benzo[h]quinazoline is c1ccc2c(c1)ccc1c(-c3ccc4cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)ccc4c3)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)nc12.
What is the InChIKey of 2-(3-carbazol-9-ylcarbazol-9-yl)-4-[6-(3-carbazol-9-ylcarbazol-9-yl)naphthalen-2-yl]benzo[h]quinazoline?
The InChIKey is XQAZCQWYBNAZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H42N6/c1-2-16-50-43(15-1)32-36-57-68(71-70(72-69(50)57)76-65-28-14-8-22-56(65)59-42-49(35-38-67(59)76)75-62-25-11-5-19-53(62)54-20-6-12-26-63(54)75)46-30-29-45-40-47(33-31-44(45)39-46)73-64-27-13-7-21-55(64)58-41-48(34-37-66(58)73)74-60-23-9-3-17-51(60)52-18-4-10-24-61(52)74/h1-42H.
What are the key properties of 2-(3-carbazol-9-ylcarbazol-9-yl)-4-[6-(3-carbazol-9-ylcarbazol-9-yl)naphthalen-2-yl]benzo[h]quinazoline?
2-(3-carbazol-9-ylcarbazol-9-yl)-4-[6-(3-carbazol-9-ylcarbazol-9-yl)naphthalen-2-yl]benzo[h]quinazoline has a molecular weight of 967.15 g/mol, XLogP of 17.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-carbazol-9-ylcarbazol-9-yl)-4-[6-(3-carbazol-9-ylcarbazol-9-yl)naphthalen-2-yl]benzo[h]quinazoline is sourced from PubChem (CID 121401988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).