3-(9H-fluoren-9-yl)-9-[3-[(8-phenyl-5H-indeno[1,2-b]pyridin-5-yl)methyl]phenyl]carbazole

C50H34N2 — CID 170064519

IUPAC3-(9H-fluoren-9-yl)-9-[3-[(8-phenyl-5H-indeno[1,2-b]pyridin-5-yl)methyl]phenyl]carbazole
SMILESc1ccc(-c2ccc3c(c2)-c2ncccc2C3Cc2cccc(-n3c4ccccc4c4cc(C5c6ccccc6-c6ccccc65)ccc43)c2)cc1
InChIInChI=1S/C50H34N2/c1-2-13-33(14-3-1)34-23-25-39-44(43-21-11-27-51-50(43)46(39)30-34)29-32-12-10-15-36(28-32)52-47-22-9-8-18-40(47)45-31-35(24-26-48(45)52)49-41-19-6-4-16-37(41)38-17-5-7-20-42(38)49/h1-28,30-31,44,49H,29H2
InChIKeyBDENMGWLIWZIKN-UHFFFAOYSA-N
MW662.84 g/mol
LogP12.36
Rot. Bonds5

About 3-(9H-fluoren-9-yl)-9-[3-[(8-phenyl-5H-indeno[1,2-b]pyridin-5-yl)methyl]phenyl]carbazole

3-(9H-fluoren-9-yl)-9-[3-[(8-phenyl-5H-indeno[1,2-b]pyridin-5-yl)methyl]phenyl]carbazole (PubChem CID 170064519) has the molecular formula C50H34N2 and a molecular weight of 662.84 g/mol. Its IUPAC name is 3-(9H-fluoren-9-yl)-9-[3-[(8-phenyl-5H-indeno[1,2-b]pyridin-5-yl)methyl]phenyl]carbazole.

Molecular Properties

Compound Name3-(9H-fluoren-9-yl)-9-[3-[(8-phenyl-5H-indeno[1,2-b]pyridin-5-yl)methyl]phenyl]carbazole
PubChem CID170064519
Molecular FormulaC50H34N2
Molecular Weight662.84 g/mol
Exact Mass662.27
IUPAC Name3-(9H-fluoren-9-yl)-9-[3-[(8-phenyl-5H-indeno[1,2-b]pyridin-5-yl)methyl]phenyl]carbazole
SMILESc1ccc(-c2ccc3c(c2)-c2ncccc2C3Cc2cccc(-n3c4ccccc4c4cc(C5c6ccccc6-c6ccccc65)ccc43)c2)cc1
InChIInChI=1S/C50H34N2/c1-2-13-33(14-3-1)34-23-25-39-44(43-21-11-27-51-50(43)46(39)30-34)29-32-12-10-15-36(28-32)52-47-22-9-8-18-40(47)45-31-35(24-26-48(45)52)49-41-19-6-4-16-37(41)38-17-5-7-20-42(38)49/h1-28,30-31,44,49H,29H2
InChIKeyBDENMGWLIWZIKN-UHFFFAOYSA-N
XLogP12.36
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.84
LogP ≤ 512.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(9H-fluoren-9-yl)phenyl]-9-[4-[9-[(4-phenylphenyl)methyl]-9H-fluoren-3-yl]phenyl]carbazole
CID 170064226
3-[4-[(9R)-3-(3-carbazol-9-ylphenyl)-9H-fluoren-9-yl]phenyl]-9-(4-phenylphenyl)carbazole
CID 170074676
9-phenyl-3-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]carbazole
CID 118423662
3-[9-[3-(4-carbazol-9-ylphenyl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole
CID 170060039
3-[9-(3,5-diphenylphenyl)-9H-fluoren-3-yl]-9-naphthalen-2-yl-9H-fluorene;3-(9-naphthalen-2-yl-9H-fluoren-3-yl)-9-(3-phenylphenyl)carbazole
CID 161333378
3-(9-dibenzofuran-2-yl-9H-fluoren-3-yl)-9-(3-dibenzofuran-2-ylphenyl)carbazole
CID 163643866
3-(9-phenyl-9H-fluoren-3-yl)-9-(4-phenylphenyl)carbazole
CID 170253658
9-benzyl-6-(9-triphenylen-2-yl-9H-fluoren-3-yl)-9H-indeno[2,1-b]pyridine
CID 142356041
5-[3-(9-benzyl-9H-fluoren-3-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 123174103
9-[3-[4-(4-carbazol-9-ylphenyl)-6-[3-(9H-fluoren-9-yl)phenyl]-2-pyridinyl]phenyl]carbazole;9-[3-[6-(3-carbazol-9-ylphenyl)-4-(4-phenylphenyl)-2-pyridinyl]phenyl]carbazole;9-[3-[3-[6-[3-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]phenyl]carbazole;9-[4-[3-[6-[3-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]phenyl]carbazole
CID 161277059
5-naphthalen-2-yl-11-phenyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indolo[3,2-b]carbazole;5-naphthalen-2-yl-7-phenyl-2-[9-(3-phenylphenyl)-9H-fluoren-3-yl]-7H-indeno[2,1-b]carbazole
CID 157209496
3-dibenzofuran-2-yl-6-[3-(6-dibenzofuran-2-yl-9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-dibenzofuran-2-yl-9-phenylcarbazole;3,6-di(dibenzofuran-2-yl)-9-phenylcarbazole;3-[8-(9H-fluoren-9-yl)dibenzofuran-2-yl]-9-phenylcarbazole;9-phenyl-3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 161108968

Frequently Asked Questions

What is the IUPAC name of 3-(9H-fluoren-9-yl)-9-[3-[(8-phenyl-5H-indeno[1,2-b]pyridin-5-yl)methyl]phenyl]carbazole?
The IUPAC name of 3-(9H-fluoren-9-yl)-9-[3-[(8-phenyl-5H-indeno[1,2-b]pyridin-5-yl)methyl]phenyl]carbazole (CID 170064519) is 3-(9H-fluoren-9-yl)-9-[3-[(8-phenyl-5H-indeno[1,2-b]pyridin-5-yl)methyl]phenyl]carbazole.
What is the SMILES notation for 3-(9H-fluoren-9-yl)-9-[3-[(8-phenyl-5H-indeno[1,2-b]pyridin-5-yl)methyl]phenyl]carbazole?
The canonical SMILES for 3-(9H-fluoren-9-yl)-9-[3-[(8-phenyl-5H-indeno[1,2-b]pyridin-5-yl)methyl]phenyl]carbazole is c1ccc(-c2ccc3c(c2)-c2ncccc2C3Cc2cccc(-n3c4ccccc4c4cc(C5c6ccccc6-c6ccccc65)ccc43)c2)cc1.
What is the InChIKey of 3-(9H-fluoren-9-yl)-9-[3-[(8-phenyl-5H-indeno[1,2-b]pyridin-5-yl)methyl]phenyl]carbazole?
The InChIKey is BDENMGWLIWZIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N2/c1-2-13-33(14-3-1)34-23-25-39-44(43-21-11-27-51-50(43)46(39)30-34)29-32-12-10-15-36(28-32)52-47-22-9-8-18-40(47)45-31-35(24-26-48(45)52)49-41-19-6-4-16-37(41)38-17-5-7-20-42(38)49/h1-28,30-31,44,49H,29H2.
What are the key properties of 3-(9H-fluoren-9-yl)-9-[3-[(8-phenyl-5H-indeno[1,2-b]pyridin-5-yl)methyl]phenyl]carbazole?
3-(9H-fluoren-9-yl)-9-[3-[(8-phenyl-5H-indeno[1,2-b]pyridin-5-yl)methyl]phenyl]carbazole has a molecular weight of 662.84 g/mol, XLogP of 12.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-fluoren-9-yl)-9-[3-[(8-phenyl-5H-indeno[1,2-b]pyridin-5-yl)methyl]phenyl]carbazole is sourced from PubChem (CID 170064519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).