3-(4-benzylphenyl)-9-(9,9-diphenylfluoren-2-yl)carbazole;3-(4-benzylphenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole

C100H68N2 — CID 159140544

IUPAC3-(4-benzylphenyl)-9-(9,9-diphenylfluoren-2-yl)carbazole;3-(4-benzylphenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole
SMILESc1ccc(Cc2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)cc1.c1ccc(Cc2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C50H33N.C50H35N/c1-2-12-33(13-3-1)30-34-22-24-35(25-23-34)36-26-29-49-43(31-36)42-17-7-11-21-48(42)51(49)37-27-28-41-40-16-6-10-20-46(40)50(47(41)32-37)44-18-8-4-14-38(44)39-15-5-9-19-45(39)50;1-4-14-35(15-5-1)32-36-24-26-37(27-25-36)38-28-31-49-45(33-38)44-21-11-13-23-48(44)51(49)41-29-30-43-42-20-10-12-22-46(42)50(47(43)34-41,39-16-6-2-7-17-39)40-18-8-3-9-19-40/h1-29,31-32H,30H2;1-31,33-34H,32H2
InChIKeyKIAPEWLXLARRBS-UHFFFAOYSA-N
MW1297.66 g/mol
LogP24.79
Rot. Bonds10

About 3-(4-benzylphenyl)-9-(9,9-diphenylfluoren-2-yl)carbazole;3-(4-benzylphenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole

3-(4-benzylphenyl)-9-(9,9-diphenylfluoren-2-yl)carbazole;3-(4-benzylphenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole (PubChem CID 159140544) has the molecular formula C100H68N2 and a molecular weight of 1297.66 g/mol. Its IUPAC name is 3-(4-benzylphenyl)-9-(9,9-diphenylfluoren-2-yl)carbazole;3-(4-benzylphenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole.

Molecular Properties

Compound Name3-(4-benzylphenyl)-9-(9,9-diphenylfluoren-2-yl)carbazole;3-(4-benzylphenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole
PubChem CID159140544
Molecular FormulaC100H68N2
Molecular Weight1297.66 g/mol
Exact Mass1296.54
IUPAC Name3-(4-benzylphenyl)-9-(9,9-diphenylfluoren-2-yl)carbazole;3-(4-benzylphenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole
SMILESc1ccc(Cc2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)cc1.c1ccc(Cc2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C50H33N.C50H35N/c1-2-12-33(13-3-1)30-34-22-24-35(25-23-34)36-26-29-49-43(31-36)42-17-7-11-21-48(42)51(49)37-27-28-41-40-16-6-10-20-46(40)50(47(41)32-37)44-18-8-4-14-38(44)39-15-5-9-19-45(39)50;1-4-14-35(15-5-1)32-36-24-26-37(27-25-36)38-28-31-49-45(33-38)44-21-11-13-23-48(44)51(49)41-29-30-43-42-20-10-12-22-46(42)50(47(43)34-41,39-16-6-2-7-17-39)40-18-8-3-9-19-40/h1-29,31-32H,30H2;1-31,33-34H,32H2
InChIKeyKIAPEWLXLARRBS-UHFFFAOYSA-N
XLogP24.79
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001297.66
LogP ≤ 524.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-benzylphenyl)-9-(9,9-diphenylfluoren-2-yl)carbazole
CID 159140546
3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 118449222
9-[4-[4-[4-[4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 134354328
9-[[7-(carbazol-9-ylmethyl)-9,9-diphenylfluoren-2-yl]methyl]carbazole;9-[[4-[9-[4-(carbazol-9-ylmethyl)phenyl]fluoren-9-yl]phenyl]methyl]carbazole;9-[4-[[4-[9-[4-[(4-carbazol-9-ylphenyl)methyl]phenyl]fluoren-9-yl]phenyl]methyl]phenyl]carbazole;9-[[9,9-diphenyl-7-[(3-phenylcarbazol-9-yl)methyl]fluoren-2-yl]methyl]-3-phenylcarbazole
CID 158143320
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-(4-methylphenyl)phenyl]carbazole;3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-[4-(4-methylphenyl)phenyl]carbazole
CID 162026936
3,6-bis(9,9-diphenylfluoren-2-yl)-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole
CID 59306967
9-(9,9-diphenylfluoren-2-yl)-3-[3-[2-[1-phenyl-2-(4-phenylphenyl)ethyl]phenyl]phenyl]carbazole
CID 144639975
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537
3-[4-[9,9-diphenyl-7-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenyl]-9-phenylcarbazole
CID 89118693
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-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(9,9-diphenylfluoren-2-yl)carbazole
CID 137401879
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 157226629

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylphenyl)-9-(9,9-diphenylfluoren-2-yl)carbazole;3-(4-benzylphenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole?
The IUPAC name of 3-(4-benzylphenyl)-9-(9,9-diphenylfluoren-2-yl)carbazole;3-(4-benzylphenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole (CID 159140544) is 3-(4-benzylphenyl)-9-(9,9-diphenylfluoren-2-yl)carbazole;3-(4-benzylphenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole.
What is the SMILES notation for 3-(4-benzylphenyl)-9-(9,9-diphenylfluoren-2-yl)carbazole;3-(4-benzylphenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole?
The canonical SMILES for 3-(4-benzylphenyl)-9-(9,9-diphenylfluoren-2-yl)carbazole;3-(4-benzylphenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole is c1ccc(Cc2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)cc1.c1ccc(Cc2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1.
What is the InChIKey of 3-(4-benzylphenyl)-9-(9,9-diphenylfluoren-2-yl)carbazole;3-(4-benzylphenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole?
The InChIKey is KIAPEWLXLARRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N.C50H35N/c1-2-12-33(13-3-1)30-34-22-24-35(25-23-34)36-26-29-49-43(31-36)42-17-7-11-21-48(42)51(49)37-27-28-41-40-16-6-10-20-46(40)50(47(41)32-37)44-18-8-4-14-38(44)39-15-5-9-19-45(39)50;1-4-14-35(15-5-1)32-36-24-26-37(27-25-36)38-28-31-49-45(33-38)44-21-11-13-23-48(44)51(49)41-29-30-43-42-20-10-12-22-46(42)50(47(43)34-41,39-16-6-2-7-17-39)40-18-8-3-9-19-40/h1-29,31-32H,30H2;1-31,33-34H,32H2.
What are the key properties of 3-(4-benzylphenyl)-9-(9,9-diphenylfluoren-2-yl)carbazole;3-(4-benzylphenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole?
3-(4-benzylphenyl)-9-(9,9-diphenylfluoren-2-yl)carbazole;3-(4-benzylphenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole has a molecular weight of 1297.66 g/mol, XLogP of 24.79, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylphenyl)-9-(9,9-diphenylfluoren-2-yl)carbazole;3-(4-benzylphenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole is sourced from PubChem (CID 159140544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).