9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole-3-carbaldehyde;9H-fluorene;1-iodo-4-(4-iodophenyl)benzene

C98H66I2N4O — CID 161254046

IUPAC9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole-3-carbaldehyde;9H-fluorene;1-iodo-4-(4-iodophenyl)benzene
SMILESIc1ccc(-c2ccc(I)cc2)cc1.O=Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C37H24N2O.C36H24N2.C13H10.C12H8I2/c40-24-25-13-22-37-33(23-25)32-9-3-6-12-36(32)39(37)29-20-16-27(17-21-29)26-14-18-28(19-15-26)38-34-10-4-1-7-30(34)31-8-2-5-11-35(31)38;1-5-13-33-29(9-1)30-10-2-6-14-34(30)37(33)27-21-17-25(18-22-27)26-19-23-28(24-20-26)38-35-15-7-3-11-31(35)32-12-4-8-16-36(32)38;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-24H;1-24H;1-8H,9H2;1-8H
InChIKeyVBQSCQDVTCGMBQ-UHFFFAOYSA-N
MW1569.44 g/mol
LogP26.73
Rot. Bonds8

About 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole-3-carbaldehyde;9H-fluorene;1-iodo-4-(4-iodophenyl)benzene

9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole-3-carbaldehyde;9H-fluorene;1-iodo-4-(4-iodophenyl)benzene (PubChem CID 161254046) has the molecular formula C98H66I2N4O and a molecular weight of 1569.44 g/mol. Its IUPAC name is 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole-3-carbaldehyde;9H-fluorene;1-iodo-4-(4-iodophenyl)benzene.

Molecular Properties

Compound Name9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole-3-carbaldehyde;9H-fluorene;1-iodo-4-(4-iodophenyl)benzene
PubChem CID161254046
Molecular FormulaC98H66I2N4O
Molecular Weight1569.44 g/mol
Exact Mass1568.33
IUPAC Name9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole-3-carbaldehyde;9H-fluorene;1-iodo-4-(4-iodophenyl)benzene
SMILESIc1ccc(-c2ccc(I)cc2)cc1.O=Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C37H24N2O.C36H24N2.C13H10.C12H8I2/c40-24-25-13-22-37-33(23-25)32-9-3-6-12-36(32)39(37)29-20-16-27(17-21-29)26-14-18-28(19-15-26)38-34-10-4-1-7-30(34)31-8-2-5-11-35(31)38;1-5-13-33-29(9-1)30-10-2-6-14-34(30)37(33)27-21-17-25(18-22-27)26-19-23-28(24-20-26)38-35-15-7-3-11-31(35)32-12-4-8-16-36(32)38;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-24H;1-24H;1-8H,9H2;1-8H
InChIKeyVBQSCQDVTCGMBQ-UHFFFAOYSA-N
XLogP26.73
TPSA36.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001569.44
LogP ≤ 526.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole-3-carbaldehyde;9H-fluorene;1-iodo-4-(4-iodophenyl)benzene with MolForge

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Related Compounds

9-[4-[4-(10H-phenanthren-9-ylidenemethyl)phenyl]phenyl]carbazole
CID 145449489
9-(4-iodophenyl)-3-phenylcarbazole
CID 167227803
2-[9-(9H-fluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 121241600
4-[3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]benzaldehyde
CID 24814953
3-(9H-fluoren-4-yl)-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 130230877
3-iodo-9-(4-iodophenyl)carbazole
CID 139783630
7-[4-(9H-fluoren-1-yl)phenyl]-2,5-diphenylindolo[2,3-b]carbazole
CID 126580464
9-[7-(9H-fluoren-2-yl)-9H-fluoren-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
CID 170285115
9-(4-ethoxyphenyl)carbazole-3-carbaldehyde
CID 140847862
3-iodo-9-phenylcarbazole
CID 11810740
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole-3-carbaldehyde;9H-fluorene;1-iodo-4-(4-iodophenyl)benzene?
The IUPAC name of 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole-3-carbaldehyde;9H-fluorene;1-iodo-4-(4-iodophenyl)benzene (CID 161254046) is 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole-3-carbaldehyde;9H-fluorene;1-iodo-4-(4-iodophenyl)benzene.
What is the SMILES notation for 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole-3-carbaldehyde;9H-fluorene;1-iodo-4-(4-iodophenyl)benzene?
The canonical SMILES for 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole-3-carbaldehyde;9H-fluorene;1-iodo-4-(4-iodophenyl)benzene is Ic1ccc(-c2ccc(I)cc2)cc1.O=Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.
What is the InChIKey of 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole-3-carbaldehyde;9H-fluorene;1-iodo-4-(4-iodophenyl)benzene?
The InChIKey is VBQSCQDVTCGMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N2O.C36H24N2.C13H10.C12H8I2/c40-24-25-13-22-37-33(23-25)32-9-3-6-12-36(32)39(37)29-20-16-27(17-21-29)26-14-18-28(19-15-26)38-34-10-4-1-7-30(34)31-8-2-5-11-35(31)38;1-5-13-33-29(9-1)30-10-2-6-14-34(30)37(33)27-21-17-25(18-22-27)26-19-23-28(24-20-26)38-35-15-7-3-11-31(35)32-12-4-8-16-36(32)38;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-24H;1-24H;1-8H,9H2;1-8H.
What are the key properties of 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole-3-carbaldehyde;9H-fluorene;1-iodo-4-(4-iodophenyl)benzene?
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole-3-carbaldehyde;9H-fluorene;1-iodo-4-(4-iodophenyl)benzene has a molecular weight of 1569.44 g/mol, XLogP of 26.73, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole-3-carbaldehyde;9H-fluorene;1-iodo-4-(4-iodophenyl)benzene is sourced from PubChem (CID 161254046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).