10,10-dimethyl-5-(4-phenylquinazolin-2-yl)indeno[1,2-b]indole

C31H23N3 — CID 129194138

IUPAC10,10-dimethyl-5-(4-phenylquinazolin-2-yl)indeno[1,2-b]indole
SMILESCC1(C)c2ccccc2-c2c1c1ccccc1n2-c1nc(-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C31H23N3/c1-31(2)24-17-9-6-14-21(24)29-27(31)23-16-8-11-19-26(23)34(29)30-32-25-18-10-7-15-22(25)28(33-30)20-12-4-3-5-13-20/h3-19H,1-2H3
InChIKeyYQMWFEHKNOKFDQ-UHFFFAOYSA-N
MW437.55 g/mol
LogP7.55
Rot. Bonds2

About 10,10-dimethyl-5-(4-phenylquinazolin-2-yl)indeno[1,2-b]indole

10,10-dimethyl-5-(4-phenylquinazolin-2-yl)indeno[1,2-b]indole (PubChem CID 129194138) has the molecular formula C31H23N3 and a molecular weight of 437.55 g/mol. Its IUPAC name is 10,10-dimethyl-5-(4-phenylquinazolin-2-yl)indeno[1,2-b]indole.

Molecular Properties

Compound Name10,10-dimethyl-5-(4-phenylquinazolin-2-yl)indeno[1,2-b]indole
PubChem CID129194138
Molecular FormulaC31H23N3
Molecular Weight437.55 g/mol
Exact Mass437.19
IUPAC Name10,10-dimethyl-5-(4-phenylquinazolin-2-yl)indeno[1,2-b]indole
SMILESCC1(C)c2ccccc2-c2c1c1ccccc1n2-c1nc(-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C31H23N3/c1-31(2)24-17-9-6-14-21(24)29-27(31)23-16-8-11-19-26(23)34(29)30-32-25-18-10-7-15-22(25)28(33-30)20-12-4-3-5-13-20/h3-19H,1-2H3
InChIKeyYQMWFEHKNOKFDQ-UHFFFAOYSA-N
XLogP7.55
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.55
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-(1-benzothiophen-3-yl)-10,10-dimethyl-5-(4-phenylquinazolin-2-yl)indeno[1,2-b]indole
CID 144827824
18,18-dimethyl-9-(4-phenylquinazolin-2-yl)-9-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 122464922
19,19-dimethyl-11-(4-phenylquinazolin-2-yl)-4-thia-11-azapentacyclo[10.7.0.02,10.03,7.013,18]nonadeca-1(12),2(10),3(7),5,8,13,15,17-octaene
CID 163919445
9,9-dimethyl-21-phenyl-18-(4-phenylquinazolin-2-yl)-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635792
22,22-dimethyl-14-phenyl-5-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)-9,14-diazahexacyclo[11.10.0.02,10.03,8.015,23.016,21]tricosa-1(13),2(10),3(8),4,6,11,15(23),16,18,20-decaene
CID 90270374
10,10-dimethyl-5-pyrimidin-2-ylindeno[1,2-b]indole
CID 121298587
3-(9,9-dimethylfluoren-3-yl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
CID 142356903
11,11-dimethyl-3-[4-(3-naphthalen-1-ylphenyl)quinazolin-2-yl]-3-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene
CID 163946204
16,16-dimethyl-10-(4-phenylquinazolin-2-yl)-10-azahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17,19,21,23-undecaene
CID 122464915
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 129312343
17,17-dimethyl-9-(4-phenylquinazolin-2-yl)-9-azahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene
CID 122464909
11,15,15-trimethyl-3-[4-(4-phenylphenyl)quinazolin-2-yl]-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,14(22),16,18,20-nonaene
CID 129295223

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-5-(4-phenylquinazolin-2-yl)indeno[1,2-b]indole?
The IUPAC name of 10,10-dimethyl-5-(4-phenylquinazolin-2-yl)indeno[1,2-b]indole (CID 129194138) is 10,10-dimethyl-5-(4-phenylquinazolin-2-yl)indeno[1,2-b]indole.
What is the SMILES notation for 10,10-dimethyl-5-(4-phenylquinazolin-2-yl)indeno[1,2-b]indole?
The canonical SMILES for 10,10-dimethyl-5-(4-phenylquinazolin-2-yl)indeno[1,2-b]indole is CC1(C)c2ccccc2-c2c1c1ccccc1n2-c1nc(-c2ccccc2)c2ccccc2n1.
What is the InChIKey of 10,10-dimethyl-5-(4-phenylquinazolin-2-yl)indeno[1,2-b]indole?
The InChIKey is YQMWFEHKNOKFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23N3/c1-31(2)24-17-9-6-14-21(24)29-27(31)23-16-8-11-19-26(23)34(29)30-32-25-18-10-7-15-22(25)28(33-30)20-12-4-3-5-13-20/h3-19H,1-2H3.
What are the key properties of 10,10-dimethyl-5-(4-phenylquinazolin-2-yl)indeno[1,2-b]indole?
10,10-dimethyl-5-(4-phenylquinazolin-2-yl)indeno[1,2-b]indole has a molecular weight of 437.55 g/mol, XLogP of 7.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-5-(4-phenylquinazolin-2-yl)indeno[1,2-b]indole is sourced from PubChem (CID 129194138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).