3-[(2S)-2,3-dimethyl-4,5-dihydro-2H-1,3-benzodiazepin-1-yl]-2-methyl-9-phenylcarbazole

C30H29N3 — CID 137454882

IUPAC3-[(2S)-2,3-dimethyl-4,5-dihydro-2H-1,3-benzodiazepin-1-yl]-2-methyl-9-phenylcarbazole
SMILESCc1cc2c(cc1N1c3ccccc3CCN(C)[C@@H]1C)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C30H29N3/c1-21-19-30-26(25-14-8-10-16-28(25)33(30)24-12-5-4-6-13-24)20-29(21)32-22(2)31(3)18-17-23-11-7-9-15-27(23)32/h4-16,19-20,22H,17-18H2,1-3H3/t22-/m0/s1
InChIKeyUCKWVABDPZZKKP-QFIPXVFZSA-N
MW431.58 g/mol
LogP7.06
Rot. Bonds2

About 3-[(2S)-2,3-dimethyl-4,5-dihydro-2H-1,3-benzodiazepin-1-yl]-2-methyl-9-phenylcarbazole

3-[(2S)-2,3-dimethyl-4,5-dihydro-2H-1,3-benzodiazepin-1-yl]-2-methyl-9-phenylcarbazole (PubChem CID 137454882) has the molecular formula C30H29N3 and a molecular weight of 431.58 g/mol. Its IUPAC name is 3-[(2S)-2,3-dimethyl-4,5-dihydro-2H-1,3-benzodiazepin-1-yl]-2-methyl-9-phenylcarbazole.

Molecular Properties

Compound Name3-[(2S)-2,3-dimethyl-4,5-dihydro-2H-1,3-benzodiazepin-1-yl]-2-methyl-9-phenylcarbazole
PubChem CID137454882
Molecular FormulaC30H29N3
Molecular Weight431.58 g/mol
Exact Mass431.24
IUPAC Name3-[(2S)-2,3-dimethyl-4,5-dihydro-2H-1,3-benzodiazepin-1-yl]-2-methyl-9-phenylcarbazole
SMILESCc1cc2c(cc1N1c3ccccc3CCN(C)[C@@H]1C)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C30H29N3/c1-21-19-30-26(25-14-8-10-16-28(25)33(30)24-12-5-4-6-13-24)20-29(21)32-22(2)31(3)18-17-23-11-7-9-15-27(23)32/h4-16,19-20,22H,17-18H2,1-3H3/t22-/m0/s1
InChIKeyUCKWVABDPZZKKP-QFIPXVFZSA-N
XLogP7.06
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.58
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[(2S)-2,3-dimethyl-4,5-dihydro-2H-1,3-benzodiazepin-1-yl]-2-methyl-9-phenylcarbazole with MolForge

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Related Compounds

(11S)-11-methyl-10-(2-methyl-9-phenylcarbazol-3-yl)-1,10-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene
CID 137454500
3-[(2S)-2,4-dimethyl-1,3-diazabicyclo[2.2.2]octan-3-yl]-2-methyl-9-phenylcarbazole
CID 137454846
2-methyl-3-[(3S)-1,3,4,7,7-pentamethyl-2-azabicyclo[2.2.1]heptan-2-yl]-9-phenylcarbazole
CID 137454404
3-[(3S)-1,3-dimethyl-2-azabicyclo[2.2.2]octan-2-yl]-2-methyl-9-phenylcarbazole
CID 137454364
3-(3,4-dimethyl-2-azabicyclo[2.2.1]heptan-2-yl)-2-methyl-9-phenylcarbazole
CID 162296119
10-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaen-21-amine
CID 166778824
2-methyl-9-phenyl-3-(1,8,10-trimethyl-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl)carbazole
CID 162296054
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
2-carbazol-9-yl-9-phenylcarbazole
CID 118335086
3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole
CID 137420846
2-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 135248578
5-phenyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 142356573

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2,3-dimethyl-4,5-dihydro-2H-1,3-benzodiazepin-1-yl]-2-methyl-9-phenylcarbazole?
The IUPAC name of 3-[(2S)-2,3-dimethyl-4,5-dihydro-2H-1,3-benzodiazepin-1-yl]-2-methyl-9-phenylcarbazole (CID 137454882) is 3-[(2S)-2,3-dimethyl-4,5-dihydro-2H-1,3-benzodiazepin-1-yl]-2-methyl-9-phenylcarbazole.
What is the SMILES notation for 3-[(2S)-2,3-dimethyl-4,5-dihydro-2H-1,3-benzodiazepin-1-yl]-2-methyl-9-phenylcarbazole?
The canonical SMILES for 3-[(2S)-2,3-dimethyl-4,5-dihydro-2H-1,3-benzodiazepin-1-yl]-2-methyl-9-phenylcarbazole is Cc1cc2c(cc1N1c3ccccc3CCN(C)[C@@H]1C)c1ccccc1n2-c1ccccc1.
What is the InChIKey of 3-[(2S)-2,3-dimethyl-4,5-dihydro-2H-1,3-benzodiazepin-1-yl]-2-methyl-9-phenylcarbazole?
The InChIKey is UCKWVABDPZZKKP-QFIPXVFZSA-N. The full InChI is InChI=1S/C30H29N3/c1-21-19-30-26(25-14-8-10-16-28(25)33(30)24-12-5-4-6-13-24)20-29(21)32-22(2)31(3)18-17-23-11-7-9-15-27(23)32/h4-16,19-20,22H,17-18H2,1-3H3/t22-/m0/s1.
What are the key properties of 3-[(2S)-2,3-dimethyl-4,5-dihydro-2H-1,3-benzodiazepin-1-yl]-2-methyl-9-phenylcarbazole?
3-[(2S)-2,3-dimethyl-4,5-dihydro-2H-1,3-benzodiazepin-1-yl]-2-methyl-9-phenylcarbazole has a molecular weight of 431.58 g/mol, XLogP of 7.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2,3-dimethyl-4,5-dihydro-2H-1,3-benzodiazepin-1-yl]-2-methyl-9-phenylcarbazole is sourced from PubChem (CID 137454882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).