6-benzyl-9-triphenylen-2-ylcarbazol-1-amine

C37H26N2 — CID 129021677

IUPAC6-benzyl-9-triphenylen-2-ylcarbazol-1-amine
SMILESNc1cccc2c3cc(Cc4ccccc4)ccc3n(-c3ccc4c5ccccc5c5ccccc5c4c3)c12
InChIInChI=1S/C37H26N2/c38-35-16-8-15-32-34-22-25(21-24-9-2-1-3-10-24)17-20-36(34)39(37(32)35)26-18-19-31-29-13-5-4-11-27(29)28-12-6-7-14-30(28)33(31)23-26/h1-20,22-23H,21,38H2
InChIKeyXJXDCPYDCQJBJZ-UHFFFAOYSA-N
MW498.63 g/mol
LogP9.42
Rot. Bonds3

About 6-benzyl-9-triphenylen-2-ylcarbazol-1-amine

6-benzyl-9-triphenylen-2-ylcarbazol-1-amine (PubChem CID 129021677) has the molecular formula C37H26N2 and a molecular weight of 498.63 g/mol. Its IUPAC name is 6-benzyl-9-triphenylen-2-ylcarbazol-1-amine.

Molecular Properties

Compound Name6-benzyl-9-triphenylen-2-ylcarbazol-1-amine
PubChem CID129021677
Molecular FormulaC37H26N2
Molecular Weight498.63 g/mol
Exact Mass498.21
IUPAC Name6-benzyl-9-triphenylen-2-ylcarbazol-1-amine
SMILESNc1cccc2c3cc(Cc4ccccc4)ccc3n(-c3ccc4c5ccccc5c5ccccc5c4c3)c12
InChIInChI=1S/C37H26N2/c38-35-16-8-15-32-34-22-25(21-24-9-2-1-3-10-24)17-20-36(34)39(37(32)35)26-18-19-31-29-13-5-4-11-27(29)28-12-6-7-14-30(28)33(31)23-26/h1-20,22-23H,21,38H2
InChIKeyXJXDCPYDCQJBJZ-UHFFFAOYSA-N
XLogP9.42
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.63
LogP ≤ 59.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-benzyl-9-phenylcarbazol-1-amine
CID 129172795
3-benzyl-9-(4-fluorophenyl)carbazole
CID 118374782
9-(18-benzyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole
CID 59147032
9-[4-[(3-methylphenyl)methyl]phenyl]carbazole
CID 143035757
2-carbazol-9-yl-9-(9-triphenylen-2-ylcarbazol-3-yl)carbazole
CID 121274428
3-benzyl-6-(6-benzyl-9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-benzyl-6-(6-benzyl-9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole;3-benzyl-6-(6-benzyl-9-dibenzofuran-4-ylcarbazol-3-yl)-9-phenylcarbazole
CID 162234095
2-benzyl-9-(4-fluorophenyl)carbazole
CID 161167976
3-benzyl-6-(3-methylphenyl)-9-phenylcarbazole
CID 146531656
12-phenyl-15-(9-phenylcarbazol-3-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
CID 122465510
11-phenyl-12-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]indolo[2,3-a]carbazole
CID 170268295
9-[6,10-di(carbazol-9-yl)triphenylen-2-yl]carbazole
CID 122548627
4,24-bis(3-carbazol-9-ylcarbazol-9-yl)-11,18,31,38-tetraphenyl-11,18,31,38-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene;4-(3-carbazol-9-ylcarbazol-9-yl)-11,18,31,38-tetraphenyl-11,18,31,38-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22,24,26,28,30(39),32,34,36-octadecaene;4,24-di(carbazol-9-yl)-11,18,31,38-tetraphenyl-11,18,31,38-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene;19,24-di(carbazol-9-yl)-5,12,31,38-tetraphenyl-5,12,31,38-tetrazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene
CID 159371639

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-9-triphenylen-2-ylcarbazol-1-amine?
The IUPAC name of 6-benzyl-9-triphenylen-2-ylcarbazol-1-amine (CID 129021677) is 6-benzyl-9-triphenylen-2-ylcarbazol-1-amine.
What is the SMILES notation for 6-benzyl-9-triphenylen-2-ylcarbazol-1-amine?
The canonical SMILES for 6-benzyl-9-triphenylen-2-ylcarbazol-1-amine is Nc1cccc2c3cc(Cc4ccccc4)ccc3n(-c3ccc4c5ccccc5c5ccccc5c4c3)c12.
What is the InChIKey of 6-benzyl-9-triphenylen-2-ylcarbazol-1-amine?
The InChIKey is XJXDCPYDCQJBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N2/c38-35-16-8-15-32-34-22-25(21-24-9-2-1-3-10-24)17-20-36(34)39(37(32)35)26-18-19-31-29-13-5-4-11-27(29)28-12-6-7-14-30(28)33(31)23-26/h1-20,22-23H,21,38H2.
What are the key properties of 6-benzyl-9-triphenylen-2-ylcarbazol-1-amine?
6-benzyl-9-triphenylen-2-ylcarbazol-1-amine has a molecular weight of 498.63 g/mol, XLogP of 9.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-9-triphenylen-2-ylcarbazol-1-amine is sourced from PubChem (CID 129021677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).