7-[4-(9,9-dimethylfluoren-2-yl)-3-methyl-4H-quinazolin-2-yl]-9-phenylbenzo[c]carbazole

C46H35N3 — CID 144876441

IUPAC7-[4-(9,9-dimethylfluoren-2-yl)-3-methyl-4H-quinazolin-2-yl]-9-phenylbenzo[c]carbazole
SMILESCN1C(n2c3cc(-c4ccccc4)ccc3c3c4ccccc4ccc32)=Nc2ccccc2C1c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C46H35N3/c1-46(2)38-19-11-9-17-34(38)35-24-22-32(27-39(35)46)44-36-18-10-12-20-40(36)47-45(48(44)3)49-41-26-23-30-15-7-8-16-33(30)43(41)37-25-21-31(28-42(37)49)29-13-5-4-6-14-29/h4-28,44H,1-3H3
InChIKeyTXFQOUNMKMVRLZ-UHFFFAOYSA-N
MW629.81 g/mol
LogP11.49
Rot. Bonds2

About 7-[4-(9,9-dimethylfluoren-2-yl)-3-methyl-4H-quinazolin-2-yl]-9-phenylbenzo[c]carbazole

7-[4-(9,9-dimethylfluoren-2-yl)-3-methyl-4H-quinazolin-2-yl]-9-phenylbenzo[c]carbazole (PubChem CID 144876441) has the molecular formula C46H35N3 and a molecular weight of 629.81 g/mol. Its IUPAC name is 7-[4-(9,9-dimethylfluoren-2-yl)-3-methyl-4H-quinazolin-2-yl]-9-phenylbenzo[c]carbazole.

Molecular Properties

Compound Name7-[4-(9,9-dimethylfluoren-2-yl)-3-methyl-4H-quinazolin-2-yl]-9-phenylbenzo[c]carbazole
PubChem CID144876441
Molecular FormulaC46H35N3
Molecular Weight629.81 g/mol
Exact Mass629.28
IUPAC Name7-[4-(9,9-dimethylfluoren-2-yl)-3-methyl-4H-quinazolin-2-yl]-9-phenylbenzo[c]carbazole
SMILESCN1C(n2c3cc(-c4ccccc4)ccc3c3c4ccccc4ccc32)=Nc2ccccc2C1c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C46H35N3/c1-46(2)38-19-11-9-17-34(38)35-24-22-32(27-39(35)46)44-36-18-10-12-20-40(36)47-45(48(44)3)49-41-26-23-30-15-7-8-16-33(30)43(41)37-25-21-31(28-42(37)49)29-13-5-4-6-14-29/h4-28,44H,1-3H3
InChIKeyTXFQOUNMKMVRLZ-UHFFFAOYSA-N
XLogP11.49
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.81
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

14,14-dimethyl-9-naphthalen-1-yl-6-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 154948027
N-[3-[7-(9,9-dimethylfluoren-2-yl)benzo[g]carbazol-9-yl]phenyl]-N,9-diphenylcarbazol-2-amine
CID 118349550
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]fluoren-2-amine
CID 70853904
9,9-dimethyl-N-[4-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 156513111
9,14-bis(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 162005580
2-carbazol-9-yl-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole;2-carbazol-9-yl-7-quinazolin-2-ylbenzo[c]carbazole;7-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-3-(9-phenylcarbazol-2-yl)benzo[c]carbazole
CID 158731806
2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5-(10-phenylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile
CID 121328701
6-(9,9-dimethylfluoren-2-yl)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 145327666
4-[9-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile
CID 163572335
9-[4-(9,9-dimethylfluoren-2-yl)-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole
CID 168742742
9,9-dimethyl-N-phenyl-N-[4-(7-quinolin-2-ylbenzo[c]carbazol-10-yl)phenyl]fluoren-2-amine
CID 70853803
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[4-(1,2,3-triphenylbenzo[e]indol-7-yl)phenyl]fluoren-2-amine
CID 134395151

Frequently Asked Questions

What is the IUPAC name of 7-[4-(9,9-dimethylfluoren-2-yl)-3-methyl-4H-quinazolin-2-yl]-9-phenylbenzo[c]carbazole?
The IUPAC name of 7-[4-(9,9-dimethylfluoren-2-yl)-3-methyl-4H-quinazolin-2-yl]-9-phenylbenzo[c]carbazole (CID 144876441) is 7-[4-(9,9-dimethylfluoren-2-yl)-3-methyl-4H-quinazolin-2-yl]-9-phenylbenzo[c]carbazole.
What is the SMILES notation for 7-[4-(9,9-dimethylfluoren-2-yl)-3-methyl-4H-quinazolin-2-yl]-9-phenylbenzo[c]carbazole?
The canonical SMILES for 7-[4-(9,9-dimethylfluoren-2-yl)-3-methyl-4H-quinazolin-2-yl]-9-phenylbenzo[c]carbazole is CN1C(n2c3cc(-c4ccccc4)ccc3c3c4ccccc4ccc32)=Nc2ccccc2C1c1ccc2c(c1)C(C)(C)c1ccccc1-2.
What is the InChIKey of 7-[4-(9,9-dimethylfluoren-2-yl)-3-methyl-4H-quinazolin-2-yl]-9-phenylbenzo[c]carbazole?
The InChIKey is TXFQOUNMKMVRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H35N3/c1-46(2)38-19-11-9-17-34(38)35-24-22-32(27-39(35)46)44-36-18-10-12-20-40(36)47-45(48(44)3)49-41-26-23-30-15-7-8-16-33(30)43(41)37-25-21-31(28-42(37)49)29-13-5-4-6-14-29/h4-28,44H,1-3H3.
What are the key properties of 7-[4-(9,9-dimethylfluoren-2-yl)-3-methyl-4H-quinazolin-2-yl]-9-phenylbenzo[c]carbazole?
7-[4-(9,9-dimethylfluoren-2-yl)-3-methyl-4H-quinazolin-2-yl]-9-phenylbenzo[c]carbazole has a molecular weight of 629.81 g/mol, XLogP of 11.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(9,9-dimethylfluoren-2-yl)-3-methyl-4H-quinazolin-2-yl]-9-phenylbenzo[c]carbazole is sourced from PubChem (CID 144876441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).