3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-[3-(4-isocyanophenyl)phenyl]carbazole;3-[9-(9,9-diphenylfluoren-3-yl)carbazol-3-yl]-9-[3-(4-isocyanophenyl)phenyl]carbazole

C114H74N6 — CID 158000972

IUPAC3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-[3-(4-isocyanophenyl)phenyl]carbazole;3-[9-(9,9-diphenylfluoren-3-yl)carbazol-3-yl]-9-[3-(4-isocyanophenyl)phenyl]carbazole
SMILES[C-]#[N+]c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)-c5ccccc5C6(C)C)ccc43)c2)cc1.[C-]#[N+]c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)ccc43)c2)cc1
InChIInChI=1S/C62H39N3.C52H35N3/c1-63-47-31-27-41(28-32-47)42-15-14-20-48(37-42)64-58-25-12-9-22-51(58)54-38-43(29-35-60(54)64)44-30-36-61-55(39-44)52-23-10-13-26-59(52)65(61)49-33-34-57-53(40-49)50-21-8-11-24-56(50)62(57,45-16-4-2-5-17-45)46-18-6-3-7-19-46;1-52(2)46-16-7-4-13-40(46)43-32-39(25-26-47(43)52)55-49-18-9-6-15-42(49)45-31-36(22-28-51(45)55)35-21-27-50-44(30-35)41-14-5-8-17-48(41)54(50)38-12-10-11-34(29-38)33-19-23-37(53-3)24-20-33/h2-40H;4-32H,1-2H3
InChIKeyFDSPFPSDIPORNH-UHFFFAOYSA-N
MW1527.89 g/mol
LogP30.20
Rot. Bonds10

About 3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-[3-(4-isocyanophenyl)phenyl]carbazole;3-[9-(9,9-diphenylfluoren-3-yl)carbazol-3-yl]-9-[3-(4-isocyanophenyl)phenyl]carbazole

3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-[3-(4-isocyanophenyl)phenyl]carbazole;3-[9-(9,9-diphenylfluoren-3-yl)carbazol-3-yl]-9-[3-(4-isocyanophenyl)phenyl]carbazole (PubChem CID 158000972) has the molecular formula C114H74N6 and a molecular weight of 1527.89 g/mol. Its IUPAC name is 3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-[3-(4-isocyanophenyl)phenyl]carbazole;3-[9-(9,9-diphenylfluoren-3-yl)carbazol-3-yl]-9-[3-(4-isocyanophenyl)phenyl]carbazole.

Molecular Properties

Compound Name3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-[3-(4-isocyanophenyl)phenyl]carbazole;3-[9-(9,9-diphenylfluoren-3-yl)carbazol-3-yl]-9-[3-(4-isocyanophenyl)phenyl]carbazole
PubChem CID158000972
Molecular FormulaC114H74N6
Molecular Weight1527.89 g/mol
Exact Mass1526.60
IUPAC Name3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-[3-(4-isocyanophenyl)phenyl]carbazole;3-[9-(9,9-diphenylfluoren-3-yl)carbazol-3-yl]-9-[3-(4-isocyanophenyl)phenyl]carbazole
SMILES[C-]#[N+]c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)-c5ccccc5C6(C)C)ccc43)c2)cc1.[C-]#[N+]c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)ccc43)c2)cc1
InChIInChI=1S/C62H39N3.C52H35N3/c1-63-47-31-27-41(28-32-47)42-15-14-20-48(37-42)64-58-25-12-9-22-51(58)54-38-43(29-35-60(54)64)44-30-36-61-55(39-44)52-23-10-13-26-59(52)65(61)49-33-34-57-53(40-49)50-21-8-11-24-56(50)62(57,45-16-4-2-5-17-45)46-18-6-3-7-19-46;1-52(2)46-16-7-4-13-40(46)43-32-39(25-26-47(43)52)55-49-18-9-6-15-42(49)45-31-36(22-28-51(45)55)35-21-27-50-44(30-35)41-14-5-8-17-48(41)54(50)38-12-10-11-34(29-38)33-19-23-37(53-3)24-20-33/h2-40H;4-32H,1-2H3
InChIKeyFDSPFPSDIPORNH-UHFFFAOYSA-N
XLogP30.20
TPSA28.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001527.89
LogP ≤ 530.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-[3-(4-isocyanophenyl)phenyl]carbazole;3-[9-(9,9-diphenylfluoren-3-yl)carbazol-3-yl]-9-[3-(4-isocyanophenyl)phenyl]carbazole with MolForge

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Related Compounds

3-[9-[4-[3-[4-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 154590573
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
5-[3-(3-carbazol-9-ylphenyl)phenyl]-2-isocyano-7,7-dimethylindeno[2,1-b]carbazole
CID 140822849
3-[9-[3-[3-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 154590619
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[4-[4-[3-[9-[3-(4-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590364
3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-diphenylfluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-diphenylfluoren-3-yl)carbazol-3-yl]-9-phenylcarbazole
CID 158107407
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[4-[3-[9-[4-(3-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590519
9-phenyl-3-(9-phenylfluoren-9-yl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 121311550
3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-[4-(3-isocyanophenyl)phenyl]carbazole;triphenyl-[3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane
CID 159810593
7,7-diphenyl-5-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole;11,11-diphenyl-5-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]indeno[1,2-b]carbazole
CID 161280871
7,7-diphenyl-5-(4-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole;11,11-diphenyl-5-(4-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[1,2-b]carbazole
CID 158074658
3-[9-[4-[2-[4-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 154590406

Frequently Asked Questions

What is the IUPAC name of 3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-[3-(4-isocyanophenyl)phenyl]carbazole;3-[9-(9,9-diphenylfluoren-3-yl)carbazol-3-yl]-9-[3-(4-isocyanophenyl)phenyl]carbazole?
The IUPAC name of 3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-[3-(4-isocyanophenyl)phenyl]carbazole;3-[9-(9,9-diphenylfluoren-3-yl)carbazol-3-yl]-9-[3-(4-isocyanophenyl)phenyl]carbazole (CID 158000972) is 3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-[3-(4-isocyanophenyl)phenyl]carbazole;3-[9-(9,9-diphenylfluoren-3-yl)carbazol-3-yl]-9-[3-(4-isocyanophenyl)phenyl]carbazole.
What is the SMILES notation for 3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-[3-(4-isocyanophenyl)phenyl]carbazole;3-[9-(9,9-diphenylfluoren-3-yl)carbazol-3-yl]-9-[3-(4-isocyanophenyl)phenyl]carbazole?
The canonical SMILES for 3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-[3-(4-isocyanophenyl)phenyl]carbazole;3-[9-(9,9-diphenylfluoren-3-yl)carbazol-3-yl]-9-[3-(4-isocyanophenyl)phenyl]carbazole is [C-]#[N+]c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)-c5ccccc5C6(C)C)ccc43)c2)cc1.[C-]#[N+]c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)ccc43)c2)cc1.
What is the InChIKey of 3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-[3-(4-isocyanophenyl)phenyl]carbazole;3-[9-(9,9-diphenylfluoren-3-yl)carbazol-3-yl]-9-[3-(4-isocyanophenyl)phenyl]carbazole?
The InChIKey is FDSPFPSDIPORNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39N3.C52H35N3/c1-63-47-31-27-41(28-32-47)42-15-14-20-48(37-42)64-58-25-12-9-22-51(58)54-38-43(29-35-60(54)64)44-30-36-61-55(39-44)52-23-10-13-26-59(52)65(61)49-33-34-57-53(40-49)50-21-8-11-24-56(50)62(57,45-16-4-2-5-17-45)46-18-6-3-7-19-46;1-52(2)46-16-7-4-13-40(46)43-32-39(25-26-47(43)52)55-49-18-9-6-15-42(49)45-31-36(22-28-51(45)55)35-21-27-50-44(30-35)41-14-5-8-17-48(41)54(50)38-12-10-11-34(29-38)33-19-23-37(53-3)24-20-33/h2-40H;4-32H,1-2H3.
What are the key properties of 3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-[3-(4-isocyanophenyl)phenyl]carbazole;3-[9-(9,9-diphenylfluoren-3-yl)carbazol-3-yl]-9-[3-(4-isocyanophenyl)phenyl]carbazole?
3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-[3-(4-isocyanophenyl)phenyl]carbazole;3-[9-(9,9-diphenylfluoren-3-yl)carbazol-3-yl]-9-[3-(4-isocyanophenyl)phenyl]carbazole has a molecular weight of 1527.89 g/mol, XLogP of 30.20, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-[3-(4-isocyanophenyl)phenyl]carbazole;3-[9-(9,9-diphenylfluoren-3-yl)carbazol-3-yl]-9-[3-(4-isocyanophenyl)phenyl]carbazole is sourced from PubChem (CID 158000972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).