16-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-9,9-dimethyl-14-oxa-4-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene

C43H31N3O — CID 130232961

IUPAC16-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-9,9-dimethyl-14-oxa-4-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4cccc5c4oc4ccc6c(c45)-c4ncccc4C6(C)C)nc4ccccc34)cc21
InChIInChI=1S/C43H31N3O/c1-42(2)30-15-7-5-11-25(30)26-19-18-24(23-33(26)42)38-27-12-6-8-17-34(27)45-41(46-38)29-14-9-13-28-36-35(47-40(28)29)21-20-31-37(36)39-32(43(31,3)4)16-10-22-44-39/h5-23H,1-4H3
InChIKeyDLTCPIVYIYXFGG-UHFFFAOYSA-N
MW605.74 g/mol
LogP10.87
Rot. Bonds2

About 16-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-9,9-dimethyl-14-oxa-4-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene

16-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-9,9-dimethyl-14-oxa-4-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene (PubChem CID 130232961) has the molecular formula C43H31N3O and a molecular weight of 605.74 g/mol. Its IUPAC name is 16-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-9,9-dimethyl-14-oxa-4-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene.

Molecular Properties

Compound Name16-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-9,9-dimethyl-14-oxa-4-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
PubChem CID130232961
Molecular FormulaC43H31N3O
Molecular Weight605.74 g/mol
Exact Mass605.25
IUPAC Name16-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-9,9-dimethyl-14-oxa-4-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4cccc5c4oc4ccc6c(c45)-c4ncccc4C6(C)C)nc4ccccc34)cc21
InChIInChI=1S/C43H31N3O/c1-42(2)30-15-7-5-11-25(30)26-19-18-24(23-33(26)42)38-27-12-6-8-17-34(27)45-41(46-38)29-14-9-13-28-36-35(47-40(28)29)21-20-31-37(36)39-32(43(31,3)4)16-10-22-44-39/h5-23H,1-4H3
InChIKeyDLTCPIVYIYXFGG-UHFFFAOYSA-N
XLogP10.87
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.74
LogP ≤ 510.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 16-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-9,9-dimethyl-14-oxa-4-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene 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

2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)-4-(9,9-dimethylfluoren-2-yl)quinazoline
CID 140907283
N-(4-dibenzofuran-4-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)quinazolin-2-amine
CID 146369062
2-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 166953318
5-(2-dibenzofuran-4-ylquinazolin-4-yl)-8,8-dimethyl-21-oxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2(7),3,5,9,11,13(23),14(22),15,17,19-decaene
CID 168787350
2-(9,9-dimethylfluoren-2-yl)-4-[8-(9,9-dimethylfluoren-1-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine
CID 146651225
2-dibenzofuran-4-yl-4-(9,9-dimethylfluoren-2-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 167349260
2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-2-yl)-4-(9,9-dimethylfluoren-2-yl)quinazoline;4-[4-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-7-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-2-yl)-4-phenylquinazoline
CID 162102671
2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-(3-phenylphenyl)quinazoline;2-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenylquinazoline
CID 167612820
2-(9,9-dimethylfluoren-4-yl)-4-[3-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 134217984
2-dibenzofuran-4-yl-4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 139303929
2-(4-dibenzofuran-4-ylphenyl)-7-(9,9-dimethylfluoren-2-yl)-1,3-benzoxazole
CID 67888519
4-dibenzofuran-1-yl-2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-8-yl)quinazoline
CID 134217963

Frequently Asked Questions

What is the IUPAC name of 16-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-9,9-dimethyl-14-oxa-4-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene?
The IUPAC name of 16-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-9,9-dimethyl-14-oxa-4-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene (CID 130232961) is 16-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-9,9-dimethyl-14-oxa-4-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene.
What is the SMILES notation for 16-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-9,9-dimethyl-14-oxa-4-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene?
The canonical SMILES for 16-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-9,9-dimethyl-14-oxa-4-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4cccc5c4oc4ccc6c(c45)-c4ncccc4C6(C)C)nc4ccccc34)cc21.
What is the InChIKey of 16-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-9,9-dimethyl-14-oxa-4-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene?
The InChIKey is DLTCPIVYIYXFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N3O/c1-42(2)30-15-7-5-11-25(30)26-19-18-24(23-33(26)42)38-27-12-6-8-17-34(27)45-41(46-38)29-14-9-13-28-36-35(47-40(28)29)21-20-31-37(36)39-32(43(31,3)4)16-10-22-44-39/h5-23H,1-4H3.
What are the key properties of 16-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-9,9-dimethyl-14-oxa-4-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene?
16-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-9,9-dimethyl-14-oxa-4-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene has a molecular weight of 605.74 g/mol, XLogP of 10.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 16-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-9,9-dimethyl-14-oxa-4-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene is sourced from PubChem (CID 130232961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).