7-methyl-7-phenyl-5-(4-phenyl-1,2-dihydroquinazolin-2-yl)indeno[2,1-b]carbazole

C40H29N3 — CID 145377266

IUPAC7-methyl-7-phenyl-5-(4-phenyl-1,2-dihydroquinazolin-2-yl)indeno[2,1-b]carbazole
SMILESCC1(c2ccccc2)c2ccccc2-c2cc3c4ccccc4n(C4N=C(c5ccccc5)c5ccccc5N4)c3cc21
InChIInChI=1S/C40H29N3/c1-40(27-16-6-3-7-17-27)33-21-11-8-18-28(33)31-24-32-29-19-10-13-23-36(29)43(37(32)25-34(31)40)39-41-35-22-12-9-20-30(35)38(42-39)26-14-4-2-5-15-26/h2-25,39,41H,1H3
InChIKeyMKJOZYSUGGKMIO-UHFFFAOYSA-N
MW551.69 g/mol
LogP9.55
Rot. Bonds3

About 7-methyl-7-phenyl-5-(4-phenyl-1,2-dihydroquinazolin-2-yl)indeno[2,1-b]carbazole

7-methyl-7-phenyl-5-(4-phenyl-1,2-dihydroquinazolin-2-yl)indeno[2,1-b]carbazole (PubChem CID 145377266) has the molecular formula C40H29N3 and a molecular weight of 551.69 g/mol. Its IUPAC name is 7-methyl-7-phenyl-5-(4-phenyl-1,2-dihydroquinazolin-2-yl)indeno[2,1-b]carbazole.

Molecular Properties

Compound Name7-methyl-7-phenyl-5-(4-phenyl-1,2-dihydroquinazolin-2-yl)indeno[2,1-b]carbazole
PubChem CID145377266
Molecular FormulaC40H29N3
Molecular Weight551.69 g/mol
Exact Mass551.24
IUPAC Name7-methyl-7-phenyl-5-(4-phenyl-1,2-dihydroquinazolin-2-yl)indeno[2,1-b]carbazole
SMILESCC1(c2ccccc2)c2ccccc2-c2cc3c4ccccc4n(C4N=C(c5ccccc5)c5ccccc5N4)c3cc21
InChIInChI=1S/C40H29N3/c1-40(27-16-6-3-7-17-27)33-21-11-8-18-28(33)31-24-32-29-19-10-13-23-36(29)43(37(32)25-34(31)40)39-41-35-22-12-9-20-30(35)38(42-39)26-14-4-2-5-15-26/h2-25,39,41H,1H3
InChIKeyMKJOZYSUGGKMIO-UHFFFAOYSA-N
XLogP9.55
TPSA29.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.69
LogP ≤ 59.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-phenyl-1,2-dihydroquinazolin-2-yl)carbazole
CID 129312385
17-[9-(4-phenyl-1,2-dihydroquinazolin-2-yl)carbazol-3-yl]-8-oxa-14-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene
CID 170219919
12,26-dimethyl-2,12,16,26-tetraphenylheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1,3,5(13),6,8,10,14,16,18,20,22,24,27-tridecaene
CID 58142476
12-(4-phenyl-1,2-dihydroquinazolin-2-yl)-[1]benzothiolo[2,3-a]carbazole
CID 163718010
5-(9,9-dimethylfluoren-3-yl)-7-methyl-7-phenylindeno[2,1-b]carbazole
CID 131973274
5-(2-cyclohexa-1,3-dien-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-7,7-diphenylindeno[2,1-b]carbazole
CID 144976207
3-(4,6-diphenyl-1,2-dihydroquinazolin-2-yl)-15,15-dimethyl-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene
CID 129295251
11-(4-phenyl-1,2-dihydroquinazolin-2-yl)-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene
CID 90231140
15-phenyl-12-(4-phenyl-1,2-dihydroquinazolin-2-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 168721281
2-(9,9-dimethylfluoren-3-yl)-9-(1-methyl-4-phenyl-2H-quinazolin-2-yl)carbazole
CID 163925777
6,12-dimethyl-6,12-diphenyl-3-(10-phenylanthracen-9-yl)indeno[1,2-b]fluorene
CID 157142907
5-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-methyl-7-phenylindeno[2,1-b]carbazole
CID 145377307

Frequently Asked Questions

What is the IUPAC name of 7-methyl-7-phenyl-5-(4-phenyl-1,2-dihydroquinazolin-2-yl)indeno[2,1-b]carbazole?
The IUPAC name of 7-methyl-7-phenyl-5-(4-phenyl-1,2-dihydroquinazolin-2-yl)indeno[2,1-b]carbazole (CID 145377266) is 7-methyl-7-phenyl-5-(4-phenyl-1,2-dihydroquinazolin-2-yl)indeno[2,1-b]carbazole.
What is the SMILES notation for 7-methyl-7-phenyl-5-(4-phenyl-1,2-dihydroquinazolin-2-yl)indeno[2,1-b]carbazole?
The canonical SMILES for 7-methyl-7-phenyl-5-(4-phenyl-1,2-dihydroquinazolin-2-yl)indeno[2,1-b]carbazole is CC1(c2ccccc2)c2ccccc2-c2cc3c4ccccc4n(C4N=C(c5ccccc5)c5ccccc5N4)c3cc21.
What is the InChIKey of 7-methyl-7-phenyl-5-(4-phenyl-1,2-dihydroquinazolin-2-yl)indeno[2,1-b]carbazole?
The InChIKey is MKJOZYSUGGKMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29N3/c1-40(27-16-6-3-7-17-27)33-21-11-8-18-28(33)31-24-32-29-19-10-13-23-36(29)43(37(32)25-34(31)40)39-41-35-22-12-9-20-30(35)38(42-39)26-14-4-2-5-15-26/h2-25,39,41H,1H3.
What are the key properties of 7-methyl-7-phenyl-5-(4-phenyl-1,2-dihydroquinazolin-2-yl)indeno[2,1-b]carbazole?
7-methyl-7-phenyl-5-(4-phenyl-1,2-dihydroquinazolin-2-yl)indeno[2,1-b]carbazole has a molecular weight of 551.69 g/mol, XLogP of 9.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-7-phenyl-5-(4-phenyl-1,2-dihydroquinazolin-2-yl)indeno[2,1-b]carbazole is sourced from PubChem (CID 145377266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).