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

C51H41N3 — CID 145303508

IUPACbenzenecarboximidamide;7-[4-(10-methylphenanthren-9-yl)phenyl]benzo[c]carbazole;toluene
SMILESCc1c(-c2ccc(-n3c4ccccc4c4c5ccccc5ccc43)cc2)c2ccccc2c2ccccc12.Cc1ccccc1.[H]/N=C(\N)c1ccccc1
InChIInChI=1S/C37H25N.C7H8N2.C7H8/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;8-7(9)6-4-2-1-3-5-6;1-7-5-3-2-4-6-7/h2-23H,1H3;1-5H,(H3,8,9);2-6H,1H3
InChIKeyCTINKCLMAPXZKS-UHFFFAOYSA-N
MW695.91 g/mol
LogP13.18
Rot. Bonds3

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

benzenecarboximidamide;7-[4-(10-methylphenanthren-9-yl)phenyl]benzo[c]carbazole;toluene (PubChem CID 145303508) has the molecular formula C51H41N3 and a molecular weight of 695.91 g/mol. Its IUPAC name is benzenecarboximidamide;7-[4-(10-methylphenanthren-9-yl)phenyl]benzo[c]carbazole;toluene.

Molecular Properties

Compound Namebenzenecarboximidamide;7-[4-(10-methylphenanthren-9-yl)phenyl]benzo[c]carbazole;toluene
PubChem CID145303508
Molecular FormulaC51H41N3
Molecular Weight695.91 g/mol
Exact Mass695.33
IUPAC Namebenzenecarboximidamide;7-[4-(10-methylphenanthren-9-yl)phenyl]benzo[c]carbazole;toluene
SMILESCc1c(-c2ccc(-n3c4ccccc4c4c5ccccc5ccc43)cc2)c2ccccc2c2ccccc12.Cc1ccccc1.[H]/N=C(\N)c1ccccc1
InChIInChI=1S/C37H25N.C7H8N2.C7H8/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;8-7(9)6-4-2-1-3-5-6;1-7-5-3-2-4-6-7/h2-23H,1H3;1-5H,(H3,8,9);2-6H,1H3
InChIKeyCTINKCLMAPXZKS-UHFFFAOYSA-N
XLogP13.18
TPSA54.80 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.91
LogP ≤ 513.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

7-[4-(10-methylphenanthren-9-yl)phenyl]benzo[c]carbazole
CID 135245301
7-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]benzo[c]carbazole
CID 20781618
N-[amino-(4-phenylphenyl)methylidene]-5-benzo[c]carbazol-7-ylpyridine-3-carboximidamide;toluene
CID 145313054
N-[amino-(3-phenylphenyl)methylidene]-5-benzo[c]carbazol-7-ylpyridine-3-carboximidamide;toluene
CID 145299401
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
7-(4-carbazol-9-ylphenyl)benzo[c]carbazole
CID 70836917
10-methyl-7-phenylbenzo[c]carbazole
CID 66635542
4-(26-methyl-27-phenyl-25-oxa-19,27-diazaheptacyclo[18.3.1.13,23.112,15.114,18.02,7.08,13]heptacosa-1(23),2(7),3,5,8(13),9,11,14,16,18(26),20(24),21-dodecaen-19-yl)benzenecarboximidamide;toluene
CID 154692575
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
(2E,4Z)-1-imino-1-phenylhexa-2,4-diene-2,3-diamine;25-methyl-10-(4-phenylphenyl)-10,25-diazaheptacyclo[15.11.0.02,14.03,11.04,9.018,26.019,24]octacosa-1(17),2(14),3(11),4,6,8,12,15,18(26),19,21,23,27-tridecaene
CID 142289590

Frequently Asked Questions

What is the IUPAC name of benzenecarboximidamide;7-[4-(10-methylphenanthren-9-yl)phenyl]benzo[c]carbazole;toluene?
The IUPAC name of benzenecarboximidamide;7-[4-(10-methylphenanthren-9-yl)phenyl]benzo[c]carbazole;toluene (CID 145303508) is benzenecarboximidamide;7-[4-(10-methylphenanthren-9-yl)phenyl]benzo[c]carbazole;toluene.
What is the SMILES notation for benzenecarboximidamide;7-[4-(10-methylphenanthren-9-yl)phenyl]benzo[c]carbazole;toluene?
The canonical SMILES for benzenecarboximidamide;7-[4-(10-methylphenanthren-9-yl)phenyl]benzo[c]carbazole;toluene is Cc1c(-c2ccc(-n3c4ccccc4c4c5ccccc5ccc43)cc2)c2ccccc2c2ccccc12.Cc1ccccc1.[H]/N=C(\N)c1ccccc1.
What is the InChIKey of benzenecarboximidamide;7-[4-(10-methylphenanthren-9-yl)phenyl]benzo[c]carbazole;toluene?
The InChIKey is CTINKCLMAPXZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25N.C7H8N2.C7H8/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;8-7(9)6-4-2-1-3-5-6;1-7-5-3-2-4-6-7/h2-23H,1H3;1-5H,(H3,8,9);2-6H,1H3.
What are the key properties of benzenecarboximidamide;7-[4-(10-methylphenanthren-9-yl)phenyl]benzo[c]carbazole;toluene?
benzenecarboximidamide;7-[4-(10-methylphenanthren-9-yl)phenyl]benzo[c]carbazole;toluene has a molecular weight of 695.91 g/mol, XLogP of 13.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzenecarboximidamide;7-[4-(10-methylphenanthren-9-yl)phenyl]benzo[c]carbazole;toluene is sourced from PubChem (CID 145303508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).