6-[4-[7-[(9,9-dimethylfluoren-2-yl)-(2,4-dioxo-1,3-diphenylquinazolin-6-yl)amino]-9,9-dimethylfluoren-4-yl]phenyl]-1,3-diphenylquinazoline-2,4-dione

C76H55N5O4 — CID 156568596

IUPAC6-[4-[7-[(9,9-dimethylfluoren-2-yl)-(2,4-dioxo-1,3-diphenylquinazolin-6-yl)amino]-9,9-dimethylfluoren-4-yl]phenyl]-1,3-diphenylquinazoline-2,4-dione
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cccc(-c5ccc(-c6ccc7c(c6)c(=O)n(-c6ccccc6)c(=O)n7-c6ccccc6)cc5)c3-4)c3ccc4c(c3)c(=O)n(-c3ccccc3)c(=O)n4-c3ccccc3)cc21
InChIInChI=1S/C76H55N5O4/c1-75(2)64-30-18-17-28-59(64)60-40-37-56(46-66(60)75)77(55-39-43-69-63(45-55)72(83)81(54-26-15-8-16-27-54)74(85)79(69)52-22-11-6-12-23-52)57-38-41-61-67(47-57)76(3,4)65-31-19-29-58(70(61)65)49-34-32-48(33-35-49)50-36-42-68-62(44-50)71(82)80(53-24-13-7-14-25-53)73(84)78(68)51-20-9-5-10-21-51/h5-47H,1-4H3
InChIKeyAHAIOIAGHFCCBF-UHFFFAOYSA-N
MW1102.31 g/mol
LogP16.01
Rot. Bonds9

About 6-[4-[7-[(9,9-dimethylfluoren-2-yl)-(2,4-dioxo-1,3-diphenylquinazolin-6-yl)amino]-9,9-dimethylfluoren-4-yl]phenyl]-1,3-diphenylquinazoline-2,4-dione

6-[4-[7-[(9,9-dimethylfluoren-2-yl)-(2,4-dioxo-1,3-diphenylquinazolin-6-yl)amino]-9,9-dimethylfluoren-4-yl]phenyl]-1,3-diphenylquinazoline-2,4-dione (PubChem CID 156568596) has the molecular formula C76H55N5O4 and a molecular weight of 1102.31 g/mol. Its IUPAC name is 6-[4-[7-[(9,9-dimethylfluoren-2-yl)-(2,4-dioxo-1,3-diphenylquinazolin-6-yl)amino]-9,9-dimethylfluoren-4-yl]phenyl]-1,3-diphenylquinazoline-2,4-dione.

Molecular Properties

Compound Name6-[4-[7-[(9,9-dimethylfluoren-2-yl)-(2,4-dioxo-1,3-diphenylquinazolin-6-yl)amino]-9,9-dimethylfluoren-4-yl]phenyl]-1,3-diphenylquinazoline-2,4-dione
PubChem CID156568596
Molecular FormulaC76H55N5O4
Molecular Weight1102.31 g/mol
Exact Mass1101.43
IUPAC Name6-[4-[7-[(9,9-dimethylfluoren-2-yl)-(2,4-dioxo-1,3-diphenylquinazolin-6-yl)amino]-9,9-dimethylfluoren-4-yl]phenyl]-1,3-diphenylquinazoline-2,4-dione
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cccc(-c5ccc(-c6ccc7c(c6)c(=O)n(-c6ccccc6)c(=O)n7-c6ccccc6)cc5)c3-4)c3ccc4c(c3)c(=O)n(-c3ccccc3)c(=O)n4-c3ccccc3)cc21
InChIInChI=1S/C76H55N5O4/c1-75(2)64-30-18-17-28-59(64)60-40-37-56(46-66(60)75)77(55-39-43-69-63(45-55)72(83)81(54-26-15-8-16-27-54)74(85)79(69)52-22-11-6-12-23-52)57-38-41-61-67(47-57)76(3,4)65-31-19-29-58(70(61)65)49-34-32-48(33-35-49)50-36-42-68-62(44-50)71(82)80(53-24-13-7-14-25-53)73(84)78(68)51-20-9-5-10-21-51/h5-47H,1-4H3
InChIKeyAHAIOIAGHFCCBF-UHFFFAOYSA-N
XLogP16.01
TPSA91.24 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001102.31
LogP ≤ 516.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-[4-[7-[(9,9-dimethylfluoren-2-yl)-(2,4-dioxo-1,3-diphenylquinazolin-6-yl)amino]-9,9-dimethylfluoren-4-yl]phenyl]-1,3-diphenylquinazoline-2,4-dione 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

9,9-dimethyl-5-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 155153906
6-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-1,3-diphenylquinazoline-2,4-dione
CID 122491504
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]triphenylen-2-amine
CID 88556147
4-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(4-formylphenyl)anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]anilino]phenyl]benzaldehyde
CID 90164145
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)fluoren-2-amine
CID 59171718
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 159828144
N-(9,9-dimethylfluoren-4-yl)-N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-amine
CID 140910652
6-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9-phenylcarbazol-3-ol;ethane
CID 145348099
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-[3-[9-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-3-yl]phenyl]carbazol-3-yl]phenyl]fluoren-2-amine
CID 167287563
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 159095793
N-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 167527113
N-[4-[4-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 58454141

Frequently Asked Questions

What is the IUPAC name of 6-[4-[7-[(9,9-dimethylfluoren-2-yl)-(2,4-dioxo-1,3-diphenylquinazolin-6-yl)amino]-9,9-dimethylfluoren-4-yl]phenyl]-1,3-diphenylquinazoline-2,4-dione?
The IUPAC name of 6-[4-[7-[(9,9-dimethylfluoren-2-yl)-(2,4-dioxo-1,3-diphenylquinazolin-6-yl)amino]-9,9-dimethylfluoren-4-yl]phenyl]-1,3-diphenylquinazoline-2,4-dione (CID 156568596) is 6-[4-[7-[(9,9-dimethylfluoren-2-yl)-(2,4-dioxo-1,3-diphenylquinazolin-6-yl)amino]-9,9-dimethylfluoren-4-yl]phenyl]-1,3-diphenylquinazoline-2,4-dione.
What is the SMILES notation for 6-[4-[7-[(9,9-dimethylfluoren-2-yl)-(2,4-dioxo-1,3-diphenylquinazolin-6-yl)amino]-9,9-dimethylfluoren-4-yl]phenyl]-1,3-diphenylquinazoline-2,4-dione?
The canonical SMILES for 6-[4-[7-[(9,9-dimethylfluoren-2-yl)-(2,4-dioxo-1,3-diphenylquinazolin-6-yl)amino]-9,9-dimethylfluoren-4-yl]phenyl]-1,3-diphenylquinazoline-2,4-dione is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cccc(-c5ccc(-c6ccc7c(c6)c(=O)n(-c6ccccc6)c(=O)n7-c6ccccc6)cc5)c3-4)c3ccc4c(c3)c(=O)n(-c3ccccc3)c(=O)n4-c3ccccc3)cc21.
What is the InChIKey of 6-[4-[7-[(9,9-dimethylfluoren-2-yl)-(2,4-dioxo-1,3-diphenylquinazolin-6-yl)amino]-9,9-dimethylfluoren-4-yl]phenyl]-1,3-diphenylquinazoline-2,4-dione?
The InChIKey is AHAIOIAGHFCCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H55N5O4/c1-75(2)64-30-18-17-28-59(64)60-40-37-56(46-66(60)75)77(55-39-43-69-63(45-55)72(83)81(54-26-15-8-16-27-54)74(85)79(69)52-22-11-6-12-23-52)57-38-41-61-67(47-57)76(3,4)65-31-19-29-58(70(61)65)49-34-32-48(33-35-49)50-36-42-68-62(44-50)71(82)80(53-24-13-7-14-25-53)73(84)78(68)51-20-9-5-10-21-51/h5-47H,1-4H3.
What are the key properties of 6-[4-[7-[(9,9-dimethylfluoren-2-yl)-(2,4-dioxo-1,3-diphenylquinazolin-6-yl)amino]-9,9-dimethylfluoren-4-yl]phenyl]-1,3-diphenylquinazoline-2,4-dione?
6-[4-[7-[(9,9-dimethylfluoren-2-yl)-(2,4-dioxo-1,3-diphenylquinazolin-6-yl)amino]-9,9-dimethylfluoren-4-yl]phenyl]-1,3-diphenylquinazoline-2,4-dione has a molecular weight of 1102.31 g/mol, XLogP of 16.01, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[7-[(9,9-dimethylfluoren-2-yl)-(2,4-dioxo-1,3-diphenylquinazolin-6-yl)amino]-9,9-dimethylfluoren-4-yl]phenyl]-1,3-diphenylquinazoline-2,4-dione is sourced from PubChem (CID 156568596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).