9-[4-(7-heptan-3-ylpyren-1-yl)phenyl]carbazole

C41H35N — CID 134469319

IUPAC9-[4-(7-heptan-3-ylpyren-1-yl)phenyl]carbazole
SMILESCCCCC(CC)c1cc2ccc3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4ccc(c1)c2c34
InChIInChI=1S/C41H35N/c1-3-5-10-27(4-2)32-25-30-16-15-29-19-23-34(37-24-20-31(26-32)40(30)41(29)37)28-17-21-33(22-18-28)42-38-13-8-6-11-35(38)36-12-7-9-14-39(36)42/h6-9,11-27H,3-5,10H2,1-2H3
InChIKeyQHKUJHVOCFNNTE-UHFFFAOYSA-N
MW541.74 g/mol
LogP12.03
Rot. Bonds7

About 9-[4-(7-heptan-3-ylpyren-1-yl)phenyl]carbazole

9-[4-(7-heptan-3-ylpyren-1-yl)phenyl]carbazole (PubChem CID 134469319) has the molecular formula C41H35N and a molecular weight of 541.74 g/mol. Its IUPAC name is 9-[4-(7-heptan-3-ylpyren-1-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[4-(7-heptan-3-ylpyren-1-yl)phenyl]carbazole
PubChem CID134469319
Molecular FormulaC41H35N
Molecular Weight541.74 g/mol
Exact Mass541.28
IUPAC Name9-[4-(7-heptan-3-ylpyren-1-yl)phenyl]carbazole
SMILESCCCCC(CC)c1cc2ccc3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4ccc(c1)c2c34
InChIInChI=1S/C41H35N/c1-3-5-10-27(4-2)32-25-30-16-15-29-19-23-34(37-24-20-31(26-32)40(30)41(29)37)28-17-21-33(22-18-28)42-38-13-8-6-11-35(38)36-12-7-9-14-39(36)42/h6-9,11-27H,3-5,10H2,1-2H3
InChIKeyQHKUJHVOCFNNTE-UHFFFAOYSA-N
XLogP12.03
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.74
LogP ≤ 512.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-[4-[3-(4-carbazol-9-ylphenyl)-7-dodecylpyren-1-yl]phenyl]carbazole
CID 139380326
2-phenyl-9-[4-[6-(4-propylphenyl)pyren-1-yl]phenyl]carbazole
CID 88536147
9-phenyl-2-[6-(9-phenylcarbazol-2-yl)pyren-1-yl]carbazole
CID 139341260
7-phenyl-5-[6-[4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]pyren-1-yl]indolo[2,3-b]carbazole
CID 118516736
9-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]carbazole
CID 58273517
4-phenyl-N-[4-(3-phenyl-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15(23),16,18,20-undecaen-18-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 89341685
4-(6-carbazol-9-yl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-yl)-N,N-diphenylaniline
CID 87411980
4-(6-carbazol-9-yl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-18-yl)-N,N-diphenylaniline
CID 88555045
9-[3-[3,8-bis(3-carbazol-9-ylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-[3,8-bis(4-carbazol-9-ylphenyl)pyren-1-yl]phenyl]carbazole;9-[3-[6-(3-carbazol-9-ylphenyl)-3-naphthalen-1-ylpyren-1-yl]phenyl]carbazole
CID 158821382
9-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-(8-naphthalen-2-ylpyren-1-yl)phenyl]carbazole;9-[3-(6-phenylpyren-1-yl)phenyl]carbazole
CID 160792996
9-[3-[6-(3-carbazol-9-ylphenyl)pyren-1-yl]phenyl]carbazole
CID 172537457
9-phenyl-2-(6-pyridin-4-ylpyren-1-yl)carbazole
CID 135130218

Frequently Asked Questions

What is the IUPAC name of 9-[4-(7-heptan-3-ylpyren-1-yl)phenyl]carbazole?
The IUPAC name of 9-[4-(7-heptan-3-ylpyren-1-yl)phenyl]carbazole (CID 134469319) is 9-[4-(7-heptan-3-ylpyren-1-yl)phenyl]carbazole.
What is the SMILES notation for 9-[4-(7-heptan-3-ylpyren-1-yl)phenyl]carbazole?
The canonical SMILES for 9-[4-(7-heptan-3-ylpyren-1-yl)phenyl]carbazole is CCCCC(CC)c1cc2ccc3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4ccc(c1)c2c34.
What is the InChIKey of 9-[4-(7-heptan-3-ylpyren-1-yl)phenyl]carbazole?
The InChIKey is QHKUJHVOCFNNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H35N/c1-3-5-10-27(4-2)32-25-30-16-15-29-19-23-34(37-24-20-31(26-32)40(30)41(29)37)28-17-21-33(22-18-28)42-38-13-8-6-11-35(38)36-12-7-9-14-39(36)42/h6-9,11-27H,3-5,10H2,1-2H3.
What are the key properties of 9-[4-(7-heptan-3-ylpyren-1-yl)phenyl]carbazole?
9-[4-(7-heptan-3-ylpyren-1-yl)phenyl]carbazole has a molecular weight of 541.74 g/mol, XLogP of 12.03, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(7-heptan-3-ylpyren-1-yl)phenyl]carbazole is sourced from PubChem (CID 134469319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).