[1,9-dimethyl-6-(N-phenylanilino)pyrido[3,4-b]indol-3-yl]methanol

C26H23N3O — CID 175716075

IUPAC[1,9-dimethyl-6-(N-phenylanilino)pyrido[3,4-b]indol-3-yl]methanol
SMILESCc1nc(CO)cc2c3cc(N(c4ccccc4)c4ccccc4)ccc3n(C)c12
InChIInChI=1S/C26H23N3O/c1-18-26-24(15-19(17-30)27-18)23-16-22(13-14-25(23)28(26)2)29(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,30H,17H2,1-2H3
InChIKeyITCQHVJPFQRDRN-UHFFFAOYSA-N
MW393.49 g/mol
LogP6.00
Rot. Bonds4

About [1,9-dimethyl-6-(N-phenylanilino)pyrido[3,4-b]indol-3-yl]methanol

[1,9-dimethyl-6-(N-phenylanilino)pyrido[3,4-b]indol-3-yl]methanol (PubChem CID 175716075) has the molecular formula C26H23N3O and a molecular weight of 393.49 g/mol. Its IUPAC name is [1,9-dimethyl-6-(N-phenylanilino)pyrido[3,4-b]indol-3-yl]methanol.

Molecular Properties

Compound Name[1,9-dimethyl-6-(N-phenylanilino)pyrido[3,4-b]indol-3-yl]methanol
PubChem CID175716075
Molecular FormulaC26H23N3O
Molecular Weight393.49 g/mol
Exact Mass393.18
IUPAC Name[1,9-dimethyl-6-(N-phenylanilino)pyrido[3,4-b]indol-3-yl]methanol
SMILESCc1nc(CO)cc2c3cc(N(c4ccccc4)c4ccccc4)ccc3n(C)c12
InChIInChI=1S/C26H23N3O/c1-18-26-24(15-19(17-30)27-18)23-16-22(13-14-25(23)28(26)2)29(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,30H,17H2,1-2H3
InChIKeyITCQHVJPFQRDRN-UHFFFAOYSA-N
XLogP6.00
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,9-dimethyl-6-(N-phenylanilino)pyrido[3,4-b]indole-3-carboxylic acid
CID 172797690
9-[2-[3,6-bis(N-phenylanilino)carbazol-9-yl]-3,4-dimethylcyclobutyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 168736678
9-methyl-2-N,2-N,7-N,7-N-tetraphenylcarbazole-2,7-diamine
CID 121465213
3-N,3-N,6-N,6-N-tetrakis[4-(dimethylamino)phenyl]-9-methylcarbazole-3,6-diamine
CID 143236484
[4-[[6-(4-methoxy-N-(9-phenylcarbazol-3-yl)anilino)-9-phenylcarbazol-3-yl]-(9-phenylcarbazol-3-yl)amino]phenyl]methanol
CID 88866500
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 118630101
3-carbazol-9-yl-9-methylcarbazole;4-carbazol-9-yl-N-methyl-N-phenylaniline;9-methyl-N,N-diphenylcarbazol-3-amine
CID 160890732
6-N,21-N-bis(4-tert-butylphenyl)-3,24-dimethyl-6-N,21-N-diphenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene-6,21-diamine
CID 59181739
3-N,6-N,9-triphenyl-3-N,6-N-bis[5-(N-phenylanilino)-2-pyridinyl]carbazole-3,6-diamine
CID 59844205
N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 90181897
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-dimethylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 118630106
9-ethyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;bis(9-methyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine)
CID 159037190

Frequently Asked Questions

What is the IUPAC name of [1,9-dimethyl-6-(N-phenylanilino)pyrido[3,4-b]indol-3-yl]methanol?
The IUPAC name of [1,9-dimethyl-6-(N-phenylanilino)pyrido[3,4-b]indol-3-yl]methanol (CID 175716075) is [1,9-dimethyl-6-(N-phenylanilino)pyrido[3,4-b]indol-3-yl]methanol.
What is the SMILES notation for [1,9-dimethyl-6-(N-phenylanilino)pyrido[3,4-b]indol-3-yl]methanol?
The canonical SMILES for [1,9-dimethyl-6-(N-phenylanilino)pyrido[3,4-b]indol-3-yl]methanol is Cc1nc(CO)cc2c3cc(N(c4ccccc4)c4ccccc4)ccc3n(C)c12.
What is the InChIKey of [1,9-dimethyl-6-(N-phenylanilino)pyrido[3,4-b]indol-3-yl]methanol?
The InChIKey is ITCQHVJPFQRDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O/c1-18-26-24(15-19(17-30)27-18)23-16-22(13-14-25(23)28(26)2)29(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,30H,17H2,1-2H3.
What are the key properties of [1,9-dimethyl-6-(N-phenylanilino)pyrido[3,4-b]indol-3-yl]methanol?
[1,9-dimethyl-6-(N-phenylanilino)pyrido[3,4-b]indol-3-yl]methanol has a molecular weight of 393.49 g/mol, XLogP of 6.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,9-dimethyl-6-(N-phenylanilino)pyrido[3,4-b]indol-3-yl]methanol is sourced from PubChem (CID 175716075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).