5-[4-(11H-benzo[a]carbazol-5-yl)naphthalen-1-yl]-7-phenylbenzo[c]carbazole

C48H30N2 — CID 90269762

IUPAC5-[4-(11H-benzo[a]carbazol-5-yl)naphthalen-1-yl]-7-phenylbenzo[c]carbazole
SMILESc1ccc(-n2c3ccccc3c3c4ccccc4c(-c4ccc(-c5cc6c7ccccc7[nH]c6c6ccccc56)c5ccccc45)cc32)cc1
InChIInChI=1S/C48H30N2/c1-2-14-30(15-3-1)50-45-25-13-11-23-40(45)47-38-21-8-6-18-33(38)42(29-46(47)50)36-27-26-35(31-16-4-5-17-32(31)36)41-28-43-37-20-10-12-24-44(37)49-48(43)39-22-9-7-19-34(39)41/h1-29,49H
InChIKeyQLYOLBLEIWUGRF-UHFFFAOYSA-N
MW634.78 g/mol
LogP13.21
Rot. Bonds3

About 5-[4-(11H-benzo[a]carbazol-5-yl)naphthalen-1-yl]-7-phenylbenzo[c]carbazole

5-[4-(11H-benzo[a]carbazol-5-yl)naphthalen-1-yl]-7-phenylbenzo[c]carbazole (PubChem CID 90269762) has the molecular formula C48H30N2 and a molecular weight of 634.78 g/mol. Its IUPAC name is 5-[4-(11H-benzo[a]carbazol-5-yl)naphthalen-1-yl]-7-phenylbenzo[c]carbazole.

Molecular Properties

Compound Name5-[4-(11H-benzo[a]carbazol-5-yl)naphthalen-1-yl]-7-phenylbenzo[c]carbazole
PubChem CID90269762
Molecular FormulaC48H30N2
Molecular Weight634.78 g/mol
Exact Mass634.24
IUPAC Name5-[4-(11H-benzo[a]carbazol-5-yl)naphthalen-1-yl]-7-phenylbenzo[c]carbazole
SMILESc1ccc(-n2c3ccccc3c3c4ccccc4c(-c4ccc(-c5cc6c7ccccc7[nH]c6c6ccccc56)c5ccccc45)cc32)cc1
InChIInChI=1S/C48H30N2/c1-2-14-30(15-3-1)50-45-25-13-11-23-40(45)47-38-21-8-6-18-33(38)42(29-46(47)50)36-27-26-35(31-16-4-5-17-32(31)36)41-28-43-37-20-10-12-24-44(37)49-48(43)39-22-9-7-19-34(39)41/h1-29,49H
InChIKeyQLYOLBLEIWUGRF-UHFFFAOYSA-N
XLogP13.21
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.78
LogP ≤ 513.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

10-(9H-carbazol-3-yl)-5,7-diphenylbenzo[c]carbazole
CID 147230918
1,1'-biphenyl;5-[3-(3-phenylphenyl)phenyl]-12H-indolo[3,2-c]carbazole
CID 142615329
6,12-diphenyl-5H-indolo[3,2-c]carbazole
CID 67494594
12-[9-(9-phenylcarbazol-3-yl)carbazol-4-yl]-11H-indolo[2,3-a]carbazole
CID 170424202
3-(3-phenylphenyl)-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 134602344
9-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 118509099
5-(4-tert-butylphenyl)-7-phenylbenzo[c]carbazole
CID 70836954
9-phenyl-4-[10-(9-phenylcarbazol-4-yl)perylen-3-yl]carbazole
CID 171428659
6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-5H-indolo[3,2-c]carbazole
CID 170268405
7-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[c]carbazol-5-amine
CID 145362394
5-[6-(11H-benzo[a]carbazol-5-yl)naphthalen-2-yl]-11-phenylbenzo[a]carbazole;5-(11H-benzo[a]carbazol-5-yl)-11-(4-phenylphenyl)benzo[a]carbazole;5-[4-(11H-benzo[a]carbazol-5-yl)phenyl]-11-pyridin-3-ylbenzo[a]carbazole
CID 160956211
9-[4-(9H-carbazol-1-yl)phenyl]-N,N-diphenylcarbazol-3-amine
CID 141087826

Frequently Asked Questions

What is the IUPAC name of 5-[4-(11H-benzo[a]carbazol-5-yl)naphthalen-1-yl]-7-phenylbenzo[c]carbazole?
The IUPAC name of 5-[4-(11H-benzo[a]carbazol-5-yl)naphthalen-1-yl]-7-phenylbenzo[c]carbazole (CID 90269762) is 5-[4-(11H-benzo[a]carbazol-5-yl)naphthalen-1-yl]-7-phenylbenzo[c]carbazole.
What is the SMILES notation for 5-[4-(11H-benzo[a]carbazol-5-yl)naphthalen-1-yl]-7-phenylbenzo[c]carbazole?
The canonical SMILES for 5-[4-(11H-benzo[a]carbazol-5-yl)naphthalen-1-yl]-7-phenylbenzo[c]carbazole is c1ccc(-n2c3ccccc3c3c4ccccc4c(-c4ccc(-c5cc6c7ccccc7[nH]c6c6ccccc56)c5ccccc45)cc32)cc1.
What is the InChIKey of 5-[4-(11H-benzo[a]carbazol-5-yl)naphthalen-1-yl]-7-phenylbenzo[c]carbazole?
The InChIKey is QLYOLBLEIWUGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2/c1-2-14-30(15-3-1)50-45-25-13-11-23-40(45)47-38-21-8-6-18-33(38)42(29-46(47)50)36-27-26-35(31-16-4-5-17-32(31)36)41-28-43-37-20-10-12-24-44(37)49-48(43)39-22-9-7-19-34(39)41/h1-29,49H.
What are the key properties of 5-[4-(11H-benzo[a]carbazol-5-yl)naphthalen-1-yl]-7-phenylbenzo[c]carbazole?
5-[4-(11H-benzo[a]carbazol-5-yl)naphthalen-1-yl]-7-phenylbenzo[c]carbazole has a molecular weight of 634.78 g/mol, XLogP of 13.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(11H-benzo[a]carbazol-5-yl)naphthalen-1-yl]-7-phenylbenzo[c]carbazole is sourced from PubChem (CID 90269762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).