4-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]-2-[4-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline

C78H48N6 — CID 121401982

IUPAC4-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]-2-[4-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline
SMILESc1ccc(-n2c3ccccc3c3c(-c4cccc5c4c4ccccc4n5-c4ccc(-c5nc(-n6c7ccccc7c7c(-c8cccc9c8c8ccccc8n9-c8ccccc8)cccc76)c6ccc7ccccc7c6n5)cc4)cccc32)cc1
InChIInChI=1S/C78H48N6/c1-3-22-51(23-4-1)81-64-35-13-9-27-59(64)72-55(31-17-39-68(72)81)56-32-19-41-70-74(56)61-29-11-15-37-66(61)83(70)53-46-43-50(44-47-53)77-79-76-54-26-8-7-21-49(54)45-48-63(76)78(80-77)84-67-38-16-12-30-62(67)75-58(34-20-42-71(75)84)57-33-18-40-69-73(57)60-28-10-14-36-65(60)82(69)52-24-5-2-6-25-52/h1-48H
InChIKeyIBLYZQPOYKGGPB-UHFFFAOYSA-N
MW1069.28 g/mol
LogP20.17
Rot. Bonds7

About 4-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]-2-[4-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline

4-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]-2-[4-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline (PubChem CID 121401982) has the molecular formula C78H48N6 and a molecular weight of 1069.28 g/mol. Its IUPAC name is 4-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]-2-[4-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline.

Molecular Properties

Compound Name4-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]-2-[4-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline
PubChem CID121401982
Molecular FormulaC78H48N6
Molecular Weight1069.28 g/mol
Exact Mass1068.39
IUPAC Name4-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]-2-[4-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline
SMILESc1ccc(-n2c3ccccc3c3c(-c4cccc5c4c4ccccc4n5-c4ccc(-c5nc(-n6c7ccccc7c7c(-c8cccc9c8c8ccccc8n9-c8ccccc8)cccc76)c6ccc7ccccc7c6n5)cc4)cccc32)cc1
InChIInChI=1S/C78H48N6/c1-3-22-51(23-4-1)81-64-35-13-9-27-59(64)72-55(31-17-39-68(72)81)56-32-19-41-70-74(56)61-29-11-15-37-66(61)83(70)53-46-43-50(44-47-53)77-79-76-54-26-8-7-21-49(54)45-48-63(76)78(80-77)84-67-38-16-12-30-62(67)75-58(34-20-42-71(75)84)57-33-18-40-69-73(57)60-28-10-14-36-65(60)82(69)52-24-5-2-6-25-52/h1-48H
InChIKeyIBLYZQPOYKGGPB-UHFFFAOYSA-N
XLogP20.17
TPSA45.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001069.28
LogP ≤ 520.17
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-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline
CID 121465350
2-[4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-(3-phenylphenyl)benzo[h]quinazoline
CID 121402041
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
3-[3-[2-[4-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]benzo[h]quinazolin-4-yl]phenyl]benzonitrile
CID 121401699
2-(9,9-dimethylfluoren-3-yl)-4-[4-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;2-naphthalen-2-yl-4-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzo[h]quinazoline;2-phenyl-4-[4-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline
CID 159036091
4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 146491338
4-(9-phenylcarbazol-4-yl)-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155305706
5-[4-[4-naphthalen-1-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621051
4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-[4-(9-phenylcarbazol-4-yl)phenyl]carbazole
CID 121306271
4-(3-carbazol-9-ylcarbazol-9-yl)-2-naphthalen-2-ylbenzo[h]quinazoline
CID 121404382
4-[4-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 164736762
4-(9-naphthalen-2-ylcarbazol-4-yl)-9-phenylcarbazole
CID 134507252

Frequently Asked Questions

What is the IUPAC name of 4-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]-2-[4-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline?
The IUPAC name of 4-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]-2-[4-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline (CID 121401982) is 4-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]-2-[4-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline.
What is the SMILES notation for 4-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]-2-[4-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline?
The canonical SMILES for 4-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]-2-[4-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline is c1ccc(-n2c3ccccc3c3c(-c4cccc5c4c4ccccc4n5-c4ccc(-c5nc(-n6c7ccccc7c7c(-c8cccc9c8c8ccccc8n9-c8ccccc8)cccc76)c6ccc7ccccc7c6n5)cc4)cccc32)cc1.
What is the InChIKey of 4-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]-2-[4-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline?
The InChIKey is IBLYZQPOYKGGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H48N6/c1-3-22-51(23-4-1)81-64-35-13-9-27-59(64)72-55(31-17-39-68(72)81)56-32-19-41-70-74(56)61-29-11-15-37-66(61)83(70)53-46-43-50(44-47-53)77-79-76-54-26-8-7-21-49(54)45-48-63(76)78(80-77)84-67-38-16-12-30-62(67)75-58(34-20-42-71(75)84)57-33-18-40-69-73(57)60-28-10-14-36-65(60)82(69)52-24-5-2-6-25-52/h1-48H.
What are the key properties of 4-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]-2-[4-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline?
4-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]-2-[4-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline has a molecular weight of 1069.28 g/mol, XLogP of 20.17, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]-2-[4-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline is sourced from PubChem (CID 121401982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).