7-[4-(10-methylphenanthren-9-yl)phenyl]benzo[c]carbazole

C37H25N — CID 135245301

IUPAC7-[4-(10-methylphenanthren-9-yl)phenyl]benzo[c]carbazole
SMILESCc1c(-c2ccc(-n3c4ccccc4c4c5ccccc5ccc43)cc2)c2ccccc2c2ccccc12
InChIInChI=1S/C37H25N/c1-24-28-11-4-5-13-30(28)31-14-6-7-15-32(31)36(24)26-18-21-27(22-19-26)38-34-17-9-8-16-33(34)37-29-12-3-2-10-25(29)20-23-35(37)38/h2-23H,1H3
InChIKeyDVIZKNFVGQAFJF-UHFFFAOYSA-N
MW483.61 g/mol
LogP10.22
Rot. Bonds2

About 7-[4-(10-methylphenanthren-9-yl)phenyl]benzo[c]carbazole

7-[4-(10-methylphenanthren-9-yl)phenyl]benzo[c]carbazole (PubChem CID 135245301) has the molecular formula C37H25N and a molecular weight of 483.61 g/mol. Its IUPAC name is 7-[4-(10-methylphenanthren-9-yl)phenyl]benzo[c]carbazole.

Molecular Properties

Compound Name7-[4-(10-methylphenanthren-9-yl)phenyl]benzo[c]carbazole
PubChem CID135245301
Molecular FormulaC37H25N
Molecular Weight483.61 g/mol
Exact Mass483.20
IUPAC Name7-[4-(10-methylphenanthren-9-yl)phenyl]benzo[c]carbazole
SMILESCc1c(-c2ccc(-n3c4ccccc4c4c5ccccc5ccc43)cc2)c2ccccc2c2ccccc12
InChIInChI=1S/C37H25N/c1-24-28-11-4-5-13-30(28)31-14-6-7-15-32(31)36(24)26-18-21-27(22-19-26)38-34-17-9-8-16-33(34)37-29-12-3-2-10-25(29)20-23-35(37)38/h2-23H,1H3
InChIKeyDVIZKNFVGQAFJF-UHFFFAOYSA-N
XLogP10.22
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.61
LogP ≤ 510.22
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

7-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]benzo[c]carbazole
CID 20781618
benzenecarboximidamide;7-[4-(10-methylphenanthren-9-yl)phenyl]benzo[c]carbazole;toluene
CID 145303508
7-(4-carbazol-9-ylphenyl)benzo[c]carbazole
CID 70836917
7-[4-(10-phenylanthracen-9-yl)phenyl]-9-(9-phenylcarbazol-2-yl)benzo[c]carbazole;7-[4-(10-phenylanthracen-9-yl)phenyl]-9-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 158285865
12-[4-(10-phenylanthracen-9-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 86675838
4-benzo[c]carbazol-7-yl-N,N-bis(4-benzo[c]carbazol-7-ylphenyl)aniline
CID 59103397
9,24-bis(4-phenylphenyl)-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 146253453
8-phenyl-5-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-c]carbazole
CID 164740424
9-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetramethylphenyl]phenyl]carbazole
CID 58939501
12-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-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 59103404
7-(4-benzo[b]triphenylen-10-ylphenyl)benzo[c]carbazole
CID 126633153
7-phenyl-3-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole
CID 130351055

Frequently Asked Questions

What is the IUPAC name of 7-[4-(10-methylphenanthren-9-yl)phenyl]benzo[c]carbazole?
The IUPAC name of 7-[4-(10-methylphenanthren-9-yl)phenyl]benzo[c]carbazole (CID 135245301) is 7-[4-(10-methylphenanthren-9-yl)phenyl]benzo[c]carbazole.
What is the SMILES notation for 7-[4-(10-methylphenanthren-9-yl)phenyl]benzo[c]carbazole?
The canonical SMILES for 7-[4-(10-methylphenanthren-9-yl)phenyl]benzo[c]carbazole is Cc1c(-c2ccc(-n3c4ccccc4c4c5ccccc5ccc43)cc2)c2ccccc2c2ccccc12.
What is the InChIKey of 7-[4-(10-methylphenanthren-9-yl)phenyl]benzo[c]carbazole?
The InChIKey is DVIZKNFVGQAFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25N/c1-24-28-11-4-5-13-30(28)31-14-6-7-15-32(31)36(24)26-18-21-27(22-19-26)38-34-17-9-8-16-33(34)37-29-12-3-2-10-25(29)20-23-35(37)38/h2-23H,1H3.
What are the key properties of 7-[4-(10-methylphenanthren-9-yl)phenyl]benzo[c]carbazole?
7-[4-(10-methylphenanthren-9-yl)phenyl]benzo[c]carbazole has a molecular weight of 483.61 g/mol, XLogP of 10.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(10-methylphenanthren-9-yl)phenyl]benzo[c]carbazole is sourced from PubChem (CID 135245301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).