5-[4-[5-(4-carbazol-9-ylnaphthalen-1-yl)-1-phenylpyrrol-2-yl]naphthalen-1-yl]-6H-cyclohepta[b]indole

C55H37N3 — CID 143850975

IUPAC5-[4-[5-(4-carbazol-9-ylnaphthalen-1-yl)-1-phenylpyrrol-2-yl]naphthalen-1-yl]-6H-cyclohepta[b]indole
SMILESC1=CCc2c(c3ccccc3n2-c2ccc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)c5ccccc45)n3-c3ccccc3)c3ccccc23)C=C1
InChIInChI=1S/C55H37N3/c1-3-17-37(18-4-1)56-52(46-31-33-54(40-22-9-7-19-38(40)46)57-48-27-6-2-5-21-42(48)43-24-11-14-28-49(43)57)35-36-53(56)47-32-34-55(41-23-10-8-20-39(41)47)58-50-29-15-12-25-44(50)45-26-13-16-30-51(45)58/h1-26,28-36H,27H2
InChIKeyDLHZBDPDOSEWCK-UHFFFAOYSA-N
MW739.92 g/mol
LogP14.28
Rot. Bonds5

About 5-[4-[5-(4-carbazol-9-ylnaphthalen-1-yl)-1-phenylpyrrol-2-yl]naphthalen-1-yl]-6H-cyclohepta[b]indole

5-[4-[5-(4-carbazol-9-ylnaphthalen-1-yl)-1-phenylpyrrol-2-yl]naphthalen-1-yl]-6H-cyclohepta[b]indole (PubChem CID 143850975) has the molecular formula C55H37N3 and a molecular weight of 739.92 g/mol. Its IUPAC name is 5-[4-[5-(4-carbazol-9-ylnaphthalen-1-yl)-1-phenylpyrrol-2-yl]naphthalen-1-yl]-6H-cyclohepta[b]indole.

Molecular Properties

Compound Name5-[4-[5-(4-carbazol-9-ylnaphthalen-1-yl)-1-phenylpyrrol-2-yl]naphthalen-1-yl]-6H-cyclohepta[b]indole
PubChem CID143850975
Molecular FormulaC55H37N3
Molecular Weight739.92 g/mol
Exact Mass739.30
IUPAC Name5-[4-[5-(4-carbazol-9-ylnaphthalen-1-yl)-1-phenylpyrrol-2-yl]naphthalen-1-yl]-6H-cyclohepta[b]indole
SMILESC1=CCc2c(c3ccccc3n2-c2ccc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)c5ccccc45)n3-c3ccccc3)c3ccccc23)C=C1
InChIInChI=1S/C55H37N3/c1-3-17-37(18-4-1)56-52(46-31-33-54(40-22-9-7-19-38(40)46)57-48-27-6-2-5-21-42(48)43-24-11-14-28-49(43)57)35-36-53(56)47-32-34-55(41-23-10-8-20-39(41)47)58-50-29-15-12-25-44(50)45-26-13-16-30-51(45)58/h1-26,28-36H,27H2
InChIKeyDLHZBDPDOSEWCK-UHFFFAOYSA-N
XLogP14.28
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.92
LogP ≤ 514.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-phenyl-2-(9-phenylcarbazol-3-yl)-6H-cyclohepta[b]indole
CID 123942675
N-(4-carbazol-9-ylphenyl)-4-(6H-cyclohepta[b]indol-5-yl)-N-[4-(10H-cyclohepta[b]indol-5-yl)phenyl]aniline
CID 145313886
9-(4-carbazol-9-ylnaphthalen-1-yl)carbazole
CID 154791880
11-(4-phenylnaphthalen-1-yl)-5-(4-phenylphenyl)indolo[3,2-b]carbazole
CID 167029799
5-phenyl-7,8-dihydro-6H-cyclohepta[b]indole
CID 143532296
9-[4-(4-carbazol-9-ylnaphthalen-1-yl)naphthalen-1-yl]carbazole;9-[4-[4-(4-carbazol-9-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]carbazole;9-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]carbazole;9-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetraphenylphenyl]phenyl]carbazole
CID 159108089
12-[3-(6-carbazol-9-yl-2-pyridinyl)phenyl]-11-[3-[6-(6H-cyclohepta[b]indol-5-yl)-2-pyridinyl]phenyl]indolo[2,3-a]carbazole
CID 129209235
9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole
CID 144650170
3-[9-(4-fluoranthen-3-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole
CID 71291329
9-(4-chlorophenyl)-5-phenyl-6H-cyclohepta[b]indole
CID 142527185
3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-phenylcarbazole
CID 71291323
3-[9-(4-dibenzofuran-4-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole
CID 126753261

Frequently Asked Questions

What is the IUPAC name of 5-[4-[5-(4-carbazol-9-ylnaphthalen-1-yl)-1-phenylpyrrol-2-yl]naphthalen-1-yl]-6H-cyclohepta[b]indole?
The IUPAC name of 5-[4-[5-(4-carbazol-9-ylnaphthalen-1-yl)-1-phenylpyrrol-2-yl]naphthalen-1-yl]-6H-cyclohepta[b]indole (CID 143850975) is 5-[4-[5-(4-carbazol-9-ylnaphthalen-1-yl)-1-phenylpyrrol-2-yl]naphthalen-1-yl]-6H-cyclohepta[b]indole.
What is the SMILES notation for 5-[4-[5-(4-carbazol-9-ylnaphthalen-1-yl)-1-phenylpyrrol-2-yl]naphthalen-1-yl]-6H-cyclohepta[b]indole?
The canonical SMILES for 5-[4-[5-(4-carbazol-9-ylnaphthalen-1-yl)-1-phenylpyrrol-2-yl]naphthalen-1-yl]-6H-cyclohepta[b]indole is C1=CCc2c(c3ccccc3n2-c2ccc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)c5ccccc45)n3-c3ccccc3)c3ccccc23)C=C1.
What is the InChIKey of 5-[4-[5-(4-carbazol-9-ylnaphthalen-1-yl)-1-phenylpyrrol-2-yl]naphthalen-1-yl]-6H-cyclohepta[b]indole?
The InChIKey is DLHZBDPDOSEWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N3/c1-3-17-37(18-4-1)56-52(46-31-33-54(40-22-9-7-19-38(40)46)57-48-27-6-2-5-21-42(48)43-24-11-14-28-49(43)57)35-36-53(56)47-32-34-55(41-23-10-8-20-39(41)47)58-50-29-15-12-25-44(50)45-26-13-16-30-51(45)58/h1-26,28-36H,27H2.
What are the key properties of 5-[4-[5-(4-carbazol-9-ylnaphthalen-1-yl)-1-phenylpyrrol-2-yl]naphthalen-1-yl]-6H-cyclohepta[b]indole?
5-[4-[5-(4-carbazol-9-ylnaphthalen-1-yl)-1-phenylpyrrol-2-yl]naphthalen-1-yl]-6H-cyclohepta[b]indole has a molecular weight of 739.92 g/mol, XLogP of 14.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[5-(4-carbazol-9-ylnaphthalen-1-yl)-1-phenylpyrrol-2-yl]naphthalen-1-yl]-6H-cyclohepta[b]indole is sourced from PubChem (CID 143850975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).