11-phenyl-8-(11-phenylbenzo[a]carbazol-8-yl)naphtho[2,1-a]carbazole

C48H30N2 — CID 130233283

IUPAC11-phenyl-8-(11-phenylbenzo[a]carbazol-8-yl)naphtho[2,1-a]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccc6c7ccccc7ccc6c4n5-c4ccccc4)cc3c3ccc4ccccc4c32)cc1
InChIInChI=1S/C48H30N2/c1-3-13-35(14-4-1)49-45-27-21-33(29-43(45)41-24-20-32-12-8-10-18-38(32)47(41)49)34-22-28-46-44(30-34)42-26-25-39-37-17-9-7-11-31(37)19-23-40(39)48(42)50(46)36-15-5-2-6-16-36/h1-30H
InChIKeyGWQHRWBDEDCHTH-UHFFFAOYSA-N
MW634.78 g/mol
LogP13.01
Rot. Bonds3

About 11-phenyl-8-(11-phenylbenzo[a]carbazol-8-yl)naphtho[2,1-a]carbazole

11-phenyl-8-(11-phenylbenzo[a]carbazol-8-yl)naphtho[2,1-a]carbazole (PubChem CID 130233283) has the molecular formula C48H30N2 and a molecular weight of 634.78 g/mol. Its IUPAC name is 11-phenyl-8-(11-phenylbenzo[a]carbazol-8-yl)naphtho[2,1-a]carbazole.

Molecular Properties

Compound Name11-phenyl-8-(11-phenylbenzo[a]carbazol-8-yl)naphtho[2,1-a]carbazole
PubChem CID130233283
Molecular FormulaC48H30N2
Molecular Weight634.78 g/mol
Exact Mass634.24
IUPAC Name11-phenyl-8-(11-phenylbenzo[a]carbazol-8-yl)naphtho[2,1-a]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccc6c7ccccc7ccc6c4n5-c4ccccc4)cc3c3ccc4ccccc4c32)cc1
InChIInChI=1S/C48H30N2/c1-3-13-35(14-4-1)49-45-27-21-33(29-43(45)41-24-20-32-12-8-10-18-38(32)47(41)49)34-22-28-46-44(30-34)42-26-25-39-37-17-9-7-11-31(37)19-23-40(39)48(42)50(46)36-15-5-2-6-16-36/h1-30H
InChIKeyGWQHRWBDEDCHTH-UHFFFAOYSA-N
XLogP13.01
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.78
LogP ≤ 513.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

12-[4-(11-phenylbenzo[a]carbazol-8-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 131999005
11-phenyl-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole;5-phenyl-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole;7-phenyl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 159128944
14-(11-phenylbenzo[a]carbazol-8-yl)-1,18,25-triazaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17,19,21,23,25-tridecaene
CID 126577962
11-phenyl-8-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[a]carbazole
CID 155114491
3-(4-phenanthren-3-ylphenyl)-9-phenylcarbazole
CID 88569888
N,4-diphenyl-N-[4-[3-(11-phenylbenzo[a]carbazol-8-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline
CID 121311168
11-[4-(4-chrysen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[a]carbazole
CID 170109348
11-[4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[a]carbazole
CID 144568635
5-(3-phenanthren-9-ylphenyl)-11-phenylbenzo[a]carbazole;5-(4-phenanthren-2-ylphenyl)-11-phenylbenzo[a]carbazole;5-(4-phenanthren-3-ylphenyl)-11-phenylbenzo[a]carbazole
CID 159012701
8-[11-(3-fluoranthen-2-ylphenyl)benzo[a]carbazol-8-yl]-11-phenylbenzo[a]carbazole
CID 130294967
8-(9-fluoranthen-8-ylcarbazol-3-yl)-11-phenylbenzo[a]carbazole
CID 130304370
8-(9-dibenzofuran-3-yl-7-phenylcarbazol-3-yl)-11-phenylbenzo[a]carbazole
CID 167243823

Frequently Asked Questions

What is the IUPAC name of 11-phenyl-8-(11-phenylbenzo[a]carbazol-8-yl)naphtho[2,1-a]carbazole?
The IUPAC name of 11-phenyl-8-(11-phenylbenzo[a]carbazol-8-yl)naphtho[2,1-a]carbazole (CID 130233283) is 11-phenyl-8-(11-phenylbenzo[a]carbazol-8-yl)naphtho[2,1-a]carbazole.
What is the SMILES notation for 11-phenyl-8-(11-phenylbenzo[a]carbazol-8-yl)naphtho[2,1-a]carbazole?
The canonical SMILES for 11-phenyl-8-(11-phenylbenzo[a]carbazol-8-yl)naphtho[2,1-a]carbazole is c1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccc6c7ccccc7ccc6c4n5-c4ccccc4)cc3c3ccc4ccccc4c32)cc1.
What is the InChIKey of 11-phenyl-8-(11-phenylbenzo[a]carbazol-8-yl)naphtho[2,1-a]carbazole?
The InChIKey is GWQHRWBDEDCHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2/c1-3-13-35(14-4-1)49-45-27-21-33(29-43(45)41-24-20-32-12-8-10-18-38(32)47(41)49)34-22-28-46-44(30-34)42-26-25-39-37-17-9-7-11-31(37)19-23-40(39)48(42)50(46)36-15-5-2-6-16-36/h1-30H.
What are the key properties of 11-phenyl-8-(11-phenylbenzo[a]carbazol-8-yl)naphtho[2,1-a]carbazole?
11-phenyl-8-(11-phenylbenzo[a]carbazol-8-yl)naphtho[2,1-a]carbazole has a molecular weight of 634.78 g/mol, XLogP of 13.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyl-8-(11-phenylbenzo[a]carbazol-8-yl)naphtho[2,1-a]carbazole is sourced from PubChem (CID 130233283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).