9-[4-[4-[9-[4-[4-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]carbazole

C62H44N2O2 — CID 121346503

IUPAC9-[4-[4-[9-[4-[4-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]carbazole
SMILESC=C1/C=C\C=C/CN(c2ccc(Oc3ccc(C4(c5ccc(Oc6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)c5ccccc5-c5ccccc54)cc3)cc2)c2ccccc21
InChIInChI=1S/C62H44N2O2/c1-43-15-3-2-14-42-63(59-23-11-6-16-52(43)59)46-30-38-50(39-31-46)65-48-34-26-44(27-35-48)62(57-21-9-4-17-53(57)54-18-5-10-22-58(54)62)45-28-36-49(37-29-45)66-51-40-32-47(33-41-51)64-60-24-12-7-19-55(60)56-20-8-13-25-61(56)64/h2-41H,1,42H2/b14-2-,15-3-
InChIKeyNMESJRQXASBXMB-QWEOIJRZSA-N
MW849.05 g/mol
LogP16.01
Rot. Bonds8

About 9-[4-[4-[9-[4-[4-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]carbazole

9-[4-[4-[9-[4-[4-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]carbazole (PubChem CID 121346503) has the molecular formula C62H44N2O2 and a molecular weight of 849.05 g/mol. Its IUPAC name is 9-[4-[4-[9-[4-[4-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[4-[9-[4-[4-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]carbazole
PubChem CID121346503
Molecular FormulaC62H44N2O2
Molecular Weight849.05 g/mol
Exact Mass848.34
IUPAC Name9-[4-[4-[9-[4-[4-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]carbazole
SMILESC=C1/C=C\C=C/CN(c2ccc(Oc3ccc(C4(c5ccc(Oc6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)c5ccccc5-c5ccccc54)cc3)cc2)c2ccccc21
InChIInChI=1S/C62H44N2O2/c1-43-15-3-2-14-42-63(59-23-11-6-16-52(43)59)46-30-38-50(39-31-46)65-48-34-26-44(27-35-48)62(57-21-9-4-17-53(57)54-18-5-10-22-58(54)62)45-28-36-49(37-29-45)66-51-40-32-47(33-41-51)64-60-24-12-7-19-55(60)56-20-8-13-25-61(56)64/h2-41H,1,42H2/b14-2-,15-3-
InChIKeyNMESJRQXASBXMB-QWEOIJRZSA-N
XLogP16.01
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.05
LogP ≤ 516.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[4-[4-[9-[4-[4-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]carbazole 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-(9,9-dimethylfluoren-2-yl)-3-[(3Z,5Z)-1-(9,9-dimethylfluoren-2-yl)-7-methylidene-2H-1-benzazonin-9-yl]carbazole
CID 130244452
9-[3-[4-methyl-3-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenyl]phenyl]carbazole
CID 166750088
9-[4-[9-(4-iodophenyl)fluoren-9-yl]phenyl]carbazole
CID 67326563
9-[4-[9-[4-[4-(2-diphenylphosphorylphenoxy)phenyl]phenyl]fluoren-9-yl]phenyl]carbazole
CID 122387903
4-[(3Z,5Z)-7-methylidene-1-phenyl-2H-1-benzazonin-9-yl]-12-(9-phenylcarbazol-3-yl)-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 118518536
methane;9-[3-(9-phenylfluoren-9-yl)phenyl]carbazole
CID 158348177
(16Z,18Z)-14,14-dimethyl-20-methylidene-10-phenyl-10-azatetracyclo[11.7.0.03,11.04,9]icosa-1(13),2,4,6,8,11,16,18-octaene
CID 122491668
9-[3-methyl-4-[2-methyl-4-[(3Z,5Z)-7-methylidene-9-pyridin-4-yl-2H-1-benzazonin-1-yl]phenyl]phenyl]-3-pyridin-4-ylcarbazole
CID 122518938
4,11-bis(4-carbazol-9-ylphenoxy)-17,19-bis(9,9-diphenylfluoren-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene
CID 155466946
3-carbazol-9-yl-9-(9-phenylcarbazol-4-yl)-6-(9-phenylfluoren-9-yl)carbazole
CID 167052712
5-[4-(4-carbazol-9-ylphenyl)phenyl]-11,11-diphenylindeno[1,2-b]carbazole
CID 168783626
3-[4-[9-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-9-yl]phenyl]-9-[3-[9-[4-[4-[9-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-9-yl]phenyl]phenyl]carbazol-3-yl]phenyl]carbazole
CID 146517009

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[9-[4-[4-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]carbazole?
The IUPAC name of 9-[4-[4-[9-[4-[4-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]carbazole (CID 121346503) is 9-[4-[4-[9-[4-[4-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]carbazole.
What is the SMILES notation for 9-[4-[4-[9-[4-[4-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]carbazole?
The canonical SMILES for 9-[4-[4-[9-[4-[4-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]carbazole is C=C1/C=C\C=C/CN(c2ccc(Oc3ccc(C4(c5ccc(Oc6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)c5ccccc5-c5ccccc54)cc3)cc2)c2ccccc21.
What is the InChIKey of 9-[4-[4-[9-[4-[4-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]carbazole?
The InChIKey is NMESJRQXASBXMB-QWEOIJRZSA-N. The full InChI is InChI=1S/C62H44N2O2/c1-43-15-3-2-14-42-63(59-23-11-6-16-52(43)59)46-30-38-50(39-31-46)65-48-34-26-44(27-35-48)62(57-21-9-4-17-53(57)54-18-5-10-22-58(54)62)45-28-36-49(37-29-45)66-51-40-32-47(33-41-51)64-60-24-12-7-19-55(60)56-20-8-13-25-61(56)64/h2-41H,1,42H2/b14-2-,15-3-.
What are the key properties of 9-[4-[4-[9-[4-[4-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]carbazole?
9-[4-[4-[9-[4-[4-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]carbazole has a molecular weight of 849.05 g/mol, XLogP of 16.01, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[9-[4-[4-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]carbazole is sourced from PubChem (CID 121346503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).