7-(4-benzo[b]triphenylen-10-ylphenyl)benzo[c]carbazole

C44H27N — CID 126633153

IUPAC7-(4-benzo[b]triphenylen-10-ylphenyl)benzo[c]carbazole
SMILESc1cc(-c2ccc(-n3c4ccccc4c4c5ccccc5ccc43)cc2)c2cc3c4ccccc4c4ccccc4c3cc2c1
InChIInChI=1S/C44H27N/c1-2-12-33-28(10-1)22-25-43-44(33)38-17-7-8-19-42(38)45(43)31-23-20-29(21-24-31)32-18-9-11-30-26-40-36-15-5-3-13-34(36)35-14-4-6-16-37(35)41(40)27-39(30)32/h1-27H
InChIKeyQZSFVONOBJKSAF-UHFFFAOYSA-N
MW569.71 g/mol
LogP12.22
Rot. Bonds2

About 7-(4-benzo[b]triphenylen-10-ylphenyl)benzo[c]carbazole

7-(4-benzo[b]triphenylen-10-ylphenyl)benzo[c]carbazole (PubChem CID 126633153) has the molecular formula C44H27N and a molecular weight of 569.71 g/mol. Its IUPAC name is 7-(4-benzo[b]triphenylen-10-ylphenyl)benzo[c]carbazole.

Molecular Properties

Compound Name7-(4-benzo[b]triphenylen-10-ylphenyl)benzo[c]carbazole
PubChem CID126633153
Molecular FormulaC44H27N
Molecular Weight569.71 g/mol
Exact Mass569.21
IUPAC Name7-(4-benzo[b]triphenylen-10-ylphenyl)benzo[c]carbazole
SMILESc1cc(-c2ccc(-n3c4ccccc4c4c5ccccc5ccc43)cc2)c2cc3c4ccccc4c4ccccc4c3cc2c1
InChIInChI=1S/C44H27N/c1-2-12-33-28(10-1)22-25-43-44(33)38-17-7-8-19-42(38)45(43)31-23-20-29(21-24-31)32-18-9-11-30-26-40-36-15-5-3-13-34(36)35-14-4-6-16-37(35)41(40)27-39(30)32/h1-27H
InChIKeyQZSFVONOBJKSAF-UHFFFAOYSA-N
XLogP12.22
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.71
LogP ≤ 512.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-[4-[3,6-bis(4-naphthalen-1-ylphenyl)benzo[b]triphenylen-10-yl]phenyl]carbazole
CID 126633133
7-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]benzo[c]carbazole
CID 20781618
15-phenyl-8-[4-(9-phenylcarbazol-2-yl)phenyl]-15-azahexacyclo[12.11.0.02,11.04,9.016,25.019,24]pentacosa-1(14),2(11),3,5,7,9,12,16(25),17,19,21,23-dodecaene
CID 164740406
3-(6-naphthalen-1-ylnaphthalen-2-yl)-7-phenylbenzo[c]carbazole
CID 130351343
9-(4-benzo[b]triphenylen-9-ylphenyl)carbazole;9-(4-benzo[b]triphenylen-10-ylphenyl)carbazole
CID 159520886
16-(4-naphthalen-1-ylphenyl)-12-(9-phenylcarbazol-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 164761193
7-(4-carbazol-9-ylphenyl)benzo[c]carbazole
CID 70836917
7-(4-methylphenyl)-9-naphthalen-1-ylbenzo[c]carbazole
CID 139298795
2-phenanthren-9-yl-7-(4-phenylphenyl)benzo[c]carbazole
CID 130351286
9-(4-naphthalen-1-ylphenyl)-5-phenyl-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 139312614
16-(4-naphthalen-1-ylphenyl)-12-(2,3,4,5,6-pentadeuteriophenyl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 166022158
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
CID 130351461

Frequently Asked Questions

What is the IUPAC name of 7-(4-benzo[b]triphenylen-10-ylphenyl)benzo[c]carbazole?
The IUPAC name of 7-(4-benzo[b]triphenylen-10-ylphenyl)benzo[c]carbazole (CID 126633153) is 7-(4-benzo[b]triphenylen-10-ylphenyl)benzo[c]carbazole.
What is the SMILES notation for 7-(4-benzo[b]triphenylen-10-ylphenyl)benzo[c]carbazole?
The canonical SMILES for 7-(4-benzo[b]triphenylen-10-ylphenyl)benzo[c]carbazole is c1cc(-c2ccc(-n3c4ccccc4c4c5ccccc5ccc43)cc2)c2cc3c4ccccc4c4ccccc4c3cc2c1.
What is the InChIKey of 7-(4-benzo[b]triphenylen-10-ylphenyl)benzo[c]carbazole?
The InChIKey is QZSFVONOBJKSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N/c1-2-12-33-28(10-1)22-25-43-44(33)38-17-7-8-19-42(38)45(43)31-23-20-29(21-24-31)32-18-9-11-30-26-40-36-15-5-3-13-34(36)35-14-4-6-16-37(35)41(40)27-39(30)32/h1-27H.
What are the key properties of 7-(4-benzo[b]triphenylen-10-ylphenyl)benzo[c]carbazole?
7-(4-benzo[b]triphenylen-10-ylphenyl)benzo[c]carbazole has a molecular weight of 569.71 g/mol, XLogP of 12.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-benzo[b]triphenylen-10-ylphenyl)benzo[c]carbazole is sourced from PubChem (CID 126633153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).