5'-phenyl-2'-(9-phenylcarbazol-1-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]

C55H34N2 — CID 89472005

IUPAC5'-phenyl-2'-(9-phenylcarbazol-1-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
SMILESc1ccc(-n2c3ccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)cc3c3cc4c(cc32)C2(c3ccccc3-c3ccccc32)c2ccccc2-4)cc1
InChIInChI=1S/C55H34N2/c1-3-16-36(17-4-1)56-52-31-30-35(38-24-15-25-43-42-23-10-14-29-51(42)57(54(38)43)37-18-5-2-6-19-37)32-45(52)46-33-44-41-22-9-13-28-49(41)55(50(44)34-53(46)56)47-26-11-7-20-39(47)40-21-8-12-27-48(40)55/h1-34H
InChIKeyKSBLKBISMLIUQO-UHFFFAOYSA-N
MW722.89 g/mol
LogP13.89
Rot. Bonds3

About 5'-phenyl-2'-(9-phenylcarbazol-1-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]

5'-phenyl-2'-(9-phenylcarbazol-1-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole] (PubChem CID 89472005) has the molecular formula C55H34N2 and a molecular weight of 722.89 g/mol. Its IUPAC name is 5'-phenyl-2'-(9-phenylcarbazol-1-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole].

Molecular Properties

Compound Name5'-phenyl-2'-(9-phenylcarbazol-1-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
PubChem CID89472005
Molecular FormulaC55H34N2
Molecular Weight722.89 g/mol
Exact Mass722.27
IUPAC Name5'-phenyl-2'-(9-phenylcarbazol-1-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
SMILESc1ccc(-n2c3ccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)cc3c3cc4c(cc32)C2(c3ccccc3-c3ccccc32)c2ccccc2-4)cc1
InChIInChI=1S/C55H34N2/c1-3-16-36(17-4-1)56-52-31-30-35(38-24-15-25-43-42-23-10-14-29-51(42)57(54(38)43)37-18-5-2-6-19-37)32-45(52)46-33-44-41-22-9-13-28-49(41)55(50(44)34-53(46)56)47-26-11-7-20-39(47)40-21-8-12-27-48(40)55/h1-34H
InChIKeyKSBLKBISMLIUQO-UHFFFAOYSA-N
XLogP13.89
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.89
LogP ≤ 513.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5'-phenyl-3'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 130288956
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537
5,5'-bis(9-phenylcarbazol-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]
CID 90337261
5-[3-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 118880607
5-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 130288373
3-(9-phenylcarbazol-1-yl)-6-(9-phenylfluoren-9-yl)-9-(3-phenylphenyl)carbazole
CID 121311539
9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazole
CID 140922382
5'-phenyl-2-pyridin-2-ylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 90335745
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
5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole;7,7-dimethyl-5-[3-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b]carbazole;11-phenyl-12-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazole
CID 160662276
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
6-(9-methylcarbazol-3-yl)-9-phenyl-1-(9-phenylcarbazol-3-yl)carbazole
CID 126630373

Frequently Asked Questions

What is the IUPAC name of 5'-phenyl-2'-(9-phenylcarbazol-1-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]?
The IUPAC name of 5'-phenyl-2'-(9-phenylcarbazol-1-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole] (CID 89472005) is 5'-phenyl-2'-(9-phenylcarbazol-1-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole].
What is the SMILES notation for 5'-phenyl-2'-(9-phenylcarbazol-1-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]?
The canonical SMILES for 5'-phenyl-2'-(9-phenylcarbazol-1-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole] is c1ccc(-n2c3ccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)cc3c3cc4c(cc32)C2(c3ccccc3-c3ccccc32)c2ccccc2-4)cc1.
What is the InChIKey of 5'-phenyl-2'-(9-phenylcarbazol-1-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]?
The InChIKey is KSBLKBISMLIUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N2/c1-3-16-36(17-4-1)56-52-31-30-35(38-24-15-25-43-42-23-10-14-29-51(42)57(54(38)43)37-18-5-2-6-19-37)32-45(52)46-33-44-41-22-9-13-28-49(41)55(50(44)34-53(46)56)47-26-11-7-20-39(47)40-21-8-12-27-48(40)55/h1-34H.
What are the key properties of 5'-phenyl-2'-(9-phenylcarbazol-1-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]?
5'-phenyl-2'-(9-phenylcarbazol-1-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole] has a molecular weight of 722.89 g/mol, XLogP of 13.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-phenyl-2'-(9-phenylcarbazol-1-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole] is sourced from PubChem (CID 89472005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).