5'-[2-(3,5-diphenylphenyl)phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]

C55H35N — CID 153465943

IUPAC5'-[2-(3,5-diphenylphenyl)phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3-n3c4ccccc4c4cc5c(cc43)C3(c4ccccc4-c4ccccc43)c3ccccc3-5)c2)cc1
InChIInChI=1S/C55H35N/c1-3-17-36(18-4-1)38-31-39(37-19-5-2-6-20-37)33-40(32-38)41-21-10-15-29-52(41)56-53-30-16-11-25-45(53)47-34-46-44-24-9-14-28-50(44)55(51(46)35-54(47)56)48-26-12-7-22-42(48)43-23-8-13-27-49(43)55/h1-35H
InChIKeyMGSXCQVRQHOSHE-UHFFFAOYSA-N
MW709.89 g/mol
LogP14.13
Rot. Bonds4

About 5'-[2-(3,5-diphenylphenyl)phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]

5'-[2-(3,5-diphenylphenyl)phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole] (PubChem CID 153465943) has the molecular formula C55H35N and a molecular weight of 709.89 g/mol. Its IUPAC name is 5'-[2-(3,5-diphenylphenyl)phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole].

Molecular Properties

Compound Name5'-[2-(3,5-diphenylphenyl)phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
PubChem CID153465943
Molecular FormulaC55H35N
Molecular Weight709.89 g/mol
Exact Mass709.28
IUPAC Name5'-[2-(3,5-diphenylphenyl)phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3-n3c4ccccc4c4cc5c(cc43)C3(c4ccccc4-c4ccccc43)c3ccccc3-5)c2)cc1
InChIInChI=1S/C55H35N/c1-3-17-36(18-4-1)38-31-39(37-19-5-2-6-20-37)33-40(32-38)41-21-10-15-29-52(41)56-53-30-16-11-25-45(53)47-34-46-44-24-9-14-28-50(44)55(51(46)35-54(47)56)48-26-12-7-22-42(48)43-23-8-13-27-49(43)55/h1-35H
InChIKeyMGSXCQVRQHOSHE-UHFFFAOYSA-N
XLogP14.13
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.89
LogP ≤ 514.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 134551622
CID 134551622
5-(3,5-diphenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole
CID 66797662
5,5'-bis(9-phenylcarbazol-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]
CID 90337261
5'-phenyl-3'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 130288956
5-(3,5-diphenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole;iodomethane
CID 158767390
9-[3-carbazol-9-yl-5-[2'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3'-yl]phenyl]carbazole
CID 129231868
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[9-[2-(3-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590571
3-phenyl-9-(9,9'-spirobi[fluorene]-4-yl)carbazole
CID 126538623
15,15-dimethyl-11,19-bis(9,9'-spirobi[fluorene]-4-yl)-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 170015359
5-phenylspiro[indeno[2,1-b]carbazole-7,9'-thioxanthene]
CID 118880676
23,37-bis(9-phenylcarbazol-2-yl)spiro[23,37-diazanonacyclo[26.11.0.02,7.08,13.014,26.016,24.017,22.030,38.031,36]nonatriaconta-1(28),2,4,6,8,10,12,14(26),15,17,19,21,24,29,31,33,35,38-octadecaene-27,9'-fluorene]
CID 134555366
9-(2'-phenyl-9,9'-spirobi[fluorene]-4-yl)carbazole
CID 129258967

Frequently Asked Questions

What is the IUPAC name of 5'-[2-(3,5-diphenylphenyl)phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]?
The IUPAC name of 5'-[2-(3,5-diphenylphenyl)phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole] (CID 153465943) is 5'-[2-(3,5-diphenylphenyl)phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole].
What is the SMILES notation for 5'-[2-(3,5-diphenylphenyl)phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]?
The canonical SMILES for 5'-[2-(3,5-diphenylphenyl)phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole] is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3-n3c4ccccc4c4cc5c(cc43)C3(c4ccccc4-c4ccccc43)c3ccccc3-5)c2)cc1.
What is the InChIKey of 5'-[2-(3,5-diphenylphenyl)phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]?
The InChIKey is MGSXCQVRQHOSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N/c1-3-17-36(18-4-1)38-31-39(37-19-5-2-6-20-37)33-40(32-38)41-21-10-15-29-52(41)56-53-30-16-11-25-45(53)47-34-46-44-24-9-14-28-50(44)55(51(46)35-54(47)56)48-26-12-7-22-42(48)43-23-8-13-27-49(43)55/h1-35H.
What are the key properties of 5'-[2-(3,5-diphenylphenyl)phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]?
5'-[2-(3,5-diphenylphenyl)phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole] has a molecular weight of 709.89 g/mol, XLogP of 14.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-[2-(3,5-diphenylphenyl)phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole] is sourced from PubChem (CID 153465943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).