2-(7-naphthalen-1-ylbenzo[c]carbazol-2-yl)-7-phenylbenzo[c]carbazole

C48H30N2 — CID 131979777

IUPAC2-(7-naphthalen-1-ylbenzo[c]carbazol-2-yl)-7-phenylbenzo[c]carbazole
SMILESc1ccc(-n2c3ccccc3c3c4cc(-c5ccc6ccc7c(c6c5)c5ccccc5n7-c5cccc6ccccc56)ccc4ccc32)cc1
InChIInChI=1S/C48H30N2/c1-2-13-36(14-3-1)49-43-18-8-6-16-38(43)47-40-29-34(23-21-32(40)25-27-45(47)49)35-24-22-33-26-28-46-48(41(33)30-35)39-17-7-9-19-44(39)50(46)42-20-10-12-31-11-4-5-15-37(31)42/h1-30H
InChIKeyLEWWZWIOEZLSOW-UHFFFAOYSA-N
MW634.78 g/mol
LogP13.01
Rot. Bonds3

About 2-(7-naphthalen-1-ylbenzo[c]carbazol-2-yl)-7-phenylbenzo[c]carbazole

2-(7-naphthalen-1-ylbenzo[c]carbazol-2-yl)-7-phenylbenzo[c]carbazole (PubChem CID 131979777) has the molecular formula C48H30N2 and a molecular weight of 634.78 g/mol. Its IUPAC name is 2-(7-naphthalen-1-ylbenzo[c]carbazol-2-yl)-7-phenylbenzo[c]carbazole.

Molecular Properties

Compound Name2-(7-naphthalen-1-ylbenzo[c]carbazol-2-yl)-7-phenylbenzo[c]carbazole
PubChem CID131979777
Molecular FormulaC48H30N2
Molecular Weight634.78 g/mol
Exact Mass634.24
IUPAC Name2-(7-naphthalen-1-ylbenzo[c]carbazol-2-yl)-7-phenylbenzo[c]carbazole
SMILESc1ccc(-n2c3ccccc3c3c4cc(-c5ccc6ccc7c(c6c5)c5ccccc5n7-c5cccc6ccccc56)ccc4ccc32)cc1
InChIInChI=1S/C48H30N2/c1-2-13-36(14-3-1)49-43-18-8-6-16-38(43)47-40-29-34(23-21-32(40)25-27-45(47)49)35-24-22-33-26-28-46-48(41(33)30-35)39-17-7-9-19-44(39)50(46)42-20-10-12-31-11-4-5-15-37(31)42/h1-30H
InChIKeyLEWWZWIOEZLSOW-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

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Related Compounds

7-naphthalen-1-yl-2-phenylbenzo[c]carbazole
CID 130351033
2-(7-naphthalen-1-ylbenzo[c]carbazol-3-yl)-7-(4-phenylphenyl)benzo[c]carbazole;7-phenyl-2-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole
CID 160886256
3-(7-naphthalen-1-ylbenzo[c]carbazol-2-yl)-7-(4-phenylphenyl)benzo[c]carbazole
CID 130351412
7-naphthalen-1-yl-2-(6-phenylnaphthalen-2-yl)benzo[c]carbazole
CID 130350960
9-naphthalen-1-yl-14-[3-(9-phenylcarbazol-2-yl)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 134168683
5-naphthalen-1-yl-12-[4-(9-phenylcarbazol-3-yl)phenyl]indolo[3,2-c]carbazole
CID 134168763
7-phenyl-3-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole
CID 130351055
9,14-dinaphthalen-1-yl-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;9,14-dinaphthalen-2-yl-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;5-phenyl-9,14-bis(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;5-phenyl-9-(3-phenylphenyl)-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 162237950
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 160549221
2-(6-naphthalen-1-ylnaphthalen-2-yl)-7-phenylbenzo[c]carbazole
CID 130351342
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-phenylcarbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 159472470
3-[4-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-9-phenylcarbazole;7-naphthalen-1-yl-10-(9-naphthalen-2-ylcarbazol-2-yl)benzo[c]carbazole;9-naphthalen-1-yl-2-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 157495680

Frequently Asked Questions

What is the IUPAC name of 2-(7-naphthalen-1-ylbenzo[c]carbazol-2-yl)-7-phenylbenzo[c]carbazole?
The IUPAC name of 2-(7-naphthalen-1-ylbenzo[c]carbazol-2-yl)-7-phenylbenzo[c]carbazole (CID 131979777) is 2-(7-naphthalen-1-ylbenzo[c]carbazol-2-yl)-7-phenylbenzo[c]carbazole.
What is the SMILES notation for 2-(7-naphthalen-1-ylbenzo[c]carbazol-2-yl)-7-phenylbenzo[c]carbazole?
The canonical SMILES for 2-(7-naphthalen-1-ylbenzo[c]carbazol-2-yl)-7-phenylbenzo[c]carbazole is c1ccc(-n2c3ccccc3c3c4cc(-c5ccc6ccc7c(c6c5)c5ccccc5n7-c5cccc6ccccc56)ccc4ccc32)cc1.
What is the InChIKey of 2-(7-naphthalen-1-ylbenzo[c]carbazol-2-yl)-7-phenylbenzo[c]carbazole?
The InChIKey is LEWWZWIOEZLSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2/c1-2-13-36(14-3-1)49-43-18-8-6-16-38(43)47-40-29-34(23-21-32(40)25-27-45(47)49)35-24-22-33-26-28-46-48(41(33)30-35)39-17-7-9-19-44(39)50(46)42-20-10-12-31-11-4-5-15-37(31)42/h1-30H.
What are the key properties of 2-(7-naphthalen-1-ylbenzo[c]carbazol-2-yl)-7-phenylbenzo[c]carbazole?
2-(7-naphthalen-1-ylbenzo[c]carbazol-2-yl)-7-phenylbenzo[c]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 2-(7-naphthalen-1-ylbenzo[c]carbazol-2-yl)-7-phenylbenzo[c]carbazole is sourced from PubChem (CID 131979777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).