3-[9-[4-(8,9-dihydrodibenzothiophen-4-yl)-3-methyl-2,4-dihydro-1H-quinazolin-2-yl]-1,2,7,8-tetrahydrocarbazol-3-yl]-9-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-1,2-dihydrocarbazole

C60H54N4S — CID 70913054

IUPAC3-[9-[4-(8,9-dihydrodibenzothiophen-4-yl)-3-methyl-2,4-dihydro-1H-quinazolin-2-yl]-1,2,7,8-tetrahydrocarbazol-3-yl]-9-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-1,2-dihydrocarbazole
SMILESCN1C(c2cccc3c4c(sc23)C=CCC4)c2ccccc2NC1n1c2c(c3c1CCC(C1=Cc4c(n(C5C=C6C(=CC5)c5ccccc5C6(C)C)c5ccccc45)CC1)=C3)C=CCC2
InChIInChI=1S/C60H54N4S/c1-60(2)49-22-9-4-15-39(49)40-30-29-38(35-50(40)60)63-52-24-11-6-16-41(52)47-33-36(27-31-54(47)63)37-28-32-55-48(34-37)42-17-7-12-25-53(42)64(55)59-61-51-23-10-5-19-45(51)57(62(59)3)46-21-14-20-44-43-18-8-13-26-56(43)65-58(44)46/h4-7,9-11,13-17,19-24,26,30,33-35,38,57,59,61H,8,12,18,25,27-29,31-32H2,1-3H3
InChIKeyNFAXPWGQATYUNX-UHFFFAOYSA-N
MW863.19 g/mol
LogP14.78
Rot. Bonds4

About 3-[9-[4-(8,9-dihydrodibenzothiophen-4-yl)-3-methyl-2,4-dihydro-1H-quinazolin-2-yl]-1,2,7,8-tetrahydrocarbazol-3-yl]-9-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-1,2-dihydrocarbazole

3-[9-[4-(8,9-dihydrodibenzothiophen-4-yl)-3-methyl-2,4-dihydro-1H-quinazolin-2-yl]-1,2,7,8-tetrahydrocarbazol-3-yl]-9-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-1,2-dihydrocarbazole (PubChem CID 70913054) has the molecular formula C60H54N4S and a molecular weight of 863.19 g/mol. Its IUPAC name is 3-[9-[4-(8,9-dihydrodibenzothiophen-4-yl)-3-methyl-2,4-dihydro-1H-quinazolin-2-yl]-1,2,7,8-tetrahydrocarbazol-3-yl]-9-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-1,2-dihydrocarbazole.

Molecular Properties

Compound Name3-[9-[4-(8,9-dihydrodibenzothiophen-4-yl)-3-methyl-2,4-dihydro-1H-quinazolin-2-yl]-1,2,7,8-tetrahydrocarbazol-3-yl]-9-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-1,2-dihydrocarbazole
PubChem CID70913054
Molecular FormulaC60H54N4S
Molecular Weight863.19 g/mol
Exact Mass862.41
IUPAC Name3-[9-[4-(8,9-dihydrodibenzothiophen-4-yl)-3-methyl-2,4-dihydro-1H-quinazolin-2-yl]-1,2,7,8-tetrahydrocarbazol-3-yl]-9-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-1,2-dihydrocarbazole
SMILESCN1C(c2cccc3c4c(sc23)C=CCC4)c2ccccc2NC1n1c2c(c3c1CCC(C1=Cc4c(n(C5C=C6C(=CC5)c5ccccc5C6(C)C)c5ccccc45)CC1)=C3)C=CCC2
InChIInChI=1S/C60H54N4S/c1-60(2)49-22-9-4-15-39(49)40-30-29-38(35-50(40)60)63-52-24-11-6-16-41(52)47-33-36(27-31-54(47)63)37-28-32-55-48(34-37)42-17-7-12-25-53(42)64(55)59-61-51-23-10-5-19-45(51)57(62(59)3)46-21-14-20-44-43-18-8-13-26-56(43)65-58(44)46/h4-7,9-11,13-17,19-24,26,30,33-35,38,57,59,61H,8,12,18,25,27-29,31-32H2,1-3H3
InChIKeyNFAXPWGQATYUNX-UHFFFAOYSA-N
XLogP14.78
TPSA25.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500863.19
LogP ≤ 514.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[9-[4-(8,9-dihydrodibenzothiophen-4-yl)-3-methyl-2,4-dihydro-1H-quinazolin-2-yl]-1,2,7,8-tetrahydrocarbazol-3-yl]-9-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-1,2-dihydrocarbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-cyclohexa-2,4-dien-1-yl-3-[9-[4-(6,7-dihydrodibenzofuran-2-yl)-1,2-dihydroquinazolin-2-yl]-1,2,7,8-tetrahydrocarbazol-3-yl]-1,2-dihydrocarbazole
CID 70913238
14,14-dimethyl-22-(3,4,5,6-tetrahydrophenanthridin-6-yl)-22-azapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(15),2(7),3,8,10,12,16,18,20-nonaene
CID 129306466
4-N-cyclohex-2-en-1-yl-4-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-1-N-[4-(12,12-dimethyl-1,2,6,7-tetrahydroindeno[1,2-c]carbazol-5-yl)cyclohexa-1,5-dien-1-yl]-1-N-phenylcyclohexa-1,5-diene-1,4-diamine
CID 144601194
9-(2,3,6,7-tetrahydrodibenzofuran-2-yl)carbazole
CID 163850112
3-[4-(1,2-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]-9-[4-(10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]-6-spiro[1,9a-dihydrofluorene-9,9'-fluorene]-2-ylcarbazole
CID 163546782
9,9-dimethyl-2,3-dihydrofluorene
CID 123727902
1-methyl-3-(4-phenylphenyl)-2,10,12-triazaoctacyclo[17.12.1.02,11.04,9.012,32.013,18.020,25.026,31]dotriaconta-4,6,8,13,15,17,19(32),20,22,24,26,28,30-tridecaene
CID 129311271
11,15,19,19-tetramethyl-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5(10),6,13,16,18(26),20,22,24-undecaene
CID 145449440
6-[10-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)anthracen-9-yl]-1,2-dihydrodibenzothiophene
CID 88562000
(1Z,20Z,28Z)-38,40-dithia-5,37,39-triazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22(27),23,28,31,33,35-heptadecaene
CID 163927794
N-(4-dibenzothiophen-4-ylcyclohexa-1,3-dien-1-yl)-N-[4-(8,9-dihydrodibenzothiophen-4-yl)phenyl]-7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-amine
CID 163969255
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-2,3-dihydrofluoren-2-amine
CID 168731692

Frequently Asked Questions

What is the IUPAC name of 3-[9-[4-(8,9-dihydrodibenzothiophen-4-yl)-3-methyl-2,4-dihydro-1H-quinazolin-2-yl]-1,2,7,8-tetrahydrocarbazol-3-yl]-9-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-1,2-dihydrocarbazole?
The IUPAC name of 3-[9-[4-(8,9-dihydrodibenzothiophen-4-yl)-3-methyl-2,4-dihydro-1H-quinazolin-2-yl]-1,2,7,8-tetrahydrocarbazol-3-yl]-9-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-1,2-dihydrocarbazole (CID 70913054) is 3-[9-[4-(8,9-dihydrodibenzothiophen-4-yl)-3-methyl-2,4-dihydro-1H-quinazolin-2-yl]-1,2,7,8-tetrahydrocarbazol-3-yl]-9-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-1,2-dihydrocarbazole.
What is the SMILES notation for 3-[9-[4-(8,9-dihydrodibenzothiophen-4-yl)-3-methyl-2,4-dihydro-1H-quinazolin-2-yl]-1,2,7,8-tetrahydrocarbazol-3-yl]-9-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-1,2-dihydrocarbazole?
The canonical SMILES for 3-[9-[4-(8,9-dihydrodibenzothiophen-4-yl)-3-methyl-2,4-dihydro-1H-quinazolin-2-yl]-1,2,7,8-tetrahydrocarbazol-3-yl]-9-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-1,2-dihydrocarbazole is CN1C(c2cccc3c4c(sc23)C=CCC4)c2ccccc2NC1n1c2c(c3c1CCC(C1=Cc4c(n(C5C=C6C(=CC5)c5ccccc5C6(C)C)c5ccccc45)CC1)=C3)C=CCC2.
What is the InChIKey of 3-[9-[4-(8,9-dihydrodibenzothiophen-4-yl)-3-methyl-2,4-dihydro-1H-quinazolin-2-yl]-1,2,7,8-tetrahydrocarbazol-3-yl]-9-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-1,2-dihydrocarbazole?
The InChIKey is NFAXPWGQATYUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H54N4S/c1-60(2)49-22-9-4-15-39(49)40-30-29-38(35-50(40)60)63-52-24-11-6-16-41(52)47-33-36(27-31-54(47)63)37-28-32-55-48(34-37)42-17-7-12-25-53(42)64(55)59-61-51-23-10-5-19-45(51)57(62(59)3)46-21-14-20-44-43-18-8-13-26-56(43)65-58(44)46/h4-7,9-11,13-17,19-24,26,30,33-35,38,57,59,61H,8,12,18,25,27-29,31-32H2,1-3H3.
What are the key properties of 3-[9-[4-(8,9-dihydrodibenzothiophen-4-yl)-3-methyl-2,4-dihydro-1H-quinazolin-2-yl]-1,2,7,8-tetrahydrocarbazol-3-yl]-9-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-1,2-dihydrocarbazole?
3-[9-[4-(8,9-dihydrodibenzothiophen-4-yl)-3-methyl-2,4-dihydro-1H-quinazolin-2-yl]-1,2,7,8-tetrahydrocarbazol-3-yl]-9-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-1,2-dihydrocarbazole has a molecular weight of 863.19 g/mol, XLogP of 14.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[4-(8,9-dihydrodibenzothiophen-4-yl)-3-methyl-2,4-dihydro-1H-quinazolin-2-yl]-1,2,7,8-tetrahydrocarbazol-3-yl]-9-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-1,2-dihydrocarbazole is sourced from PubChem (CID 70913054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).