9-phenyl-2-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-ylcarbazole

C55H33N — CID 134528134

IUPAC9-phenyl-2-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-ylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5cc6c7ccccc7c7ccccc7c6cc54)cc32)cc1
InChIInChI=1S/C55H33N/c1-2-14-36(15-3-1)56-53-25-13-10-22-44(53)45-29-27-35(31-54(45)56)34-26-28-43-41-20-8-11-23-49(41)55(51(43)30-34)50-24-12-9-21-42(50)48-32-46-39-18-6-4-16-37(39)38-17-5-7-19-40(38)47(46)33-52(48)55/h1-33H
InChIKeyJPCLNHTUKBAFQK-UHFFFAOYSA-N
MW707.88 g/mol
LogP14.25
Rot. Bonds2

About 9-phenyl-2-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-ylcarbazole

9-phenyl-2-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-ylcarbazole (PubChem CID 134528134) has the molecular formula C55H33N and a molecular weight of 707.88 g/mol. Its IUPAC name is 9-phenyl-2-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-ylcarbazole.

Molecular Properties

Compound Name9-phenyl-2-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-ylcarbazole
PubChem CID134528134
Molecular FormulaC55H33N
Molecular Weight707.88 g/mol
Exact Mass707.26
IUPAC Name9-phenyl-2-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-ylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5cc6c7ccccc7c7ccccc7c6cc54)cc32)cc1
InChIInChI=1S/C55H33N/c1-2-14-36(15-3-1)56-53-25-13-10-22-44(53)45-29-27-35(31-54(45)56)34-26-28-43-41-20-8-11-23-49(41)55(51(43)30-34)50-24-12-9-21-42(50)48-32-46-39-18-6-4-16-37(39)38-17-5-7-19-40(38)47(46)33-52(48)55/h1-33H
InChIKeyJPCLNHTUKBAFQK-UHFFFAOYSA-N
XLogP14.25
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.88
LogP ≤ 514.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-phenyl-2-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-ylcarbazole with MolForge

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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-2-[3-(9-phenylcarbazol-3-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazole
CID 140922382
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537
9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59217021
9-phenyl-2-[4-phenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 149374093
5,5'-bis(9-phenylcarbazol-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]
CID 90337261
N-[4-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 130308738
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-phenyl-2-(2-triphenylen-2-ylcarbazol-9-yl)carbazole;9-phenyl-2-[3-[2-(3-triphenylen-2-ylphenyl)carbazol-9-yl]phenyl]carbazole;9-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2-(3-triphenylen-2-ylphenyl)carbazole;9-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-2-(3-triphenylen-2-ylphenyl)carbazole
CID 160885222
5'-phenyl-2-pyridin-2-ylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 90335745
9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(9-phenylcarbazol-3-yl)-6-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 59306636
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[10-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9,9'-spirobi[fluorene]-4'-yl]triphenylen-2-yl]carbazole
CID 134440451

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-2-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-ylcarbazole?
The IUPAC name of 9-phenyl-2-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-ylcarbazole (CID 134528134) is 9-phenyl-2-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-ylcarbazole.
What is the SMILES notation for 9-phenyl-2-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-ylcarbazole?
The canonical SMILES for 9-phenyl-2-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-ylcarbazole is c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5cc6c7ccccc7c7ccccc7c6cc54)cc32)cc1.
What is the InChIKey of 9-phenyl-2-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-ylcarbazole?
The InChIKey is JPCLNHTUKBAFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N/c1-2-14-36(15-3-1)56-53-25-13-10-22-44(53)45-29-27-35(31-54(45)56)34-26-28-43-41-20-8-11-23-49(41)55(51(43)30-34)50-24-12-9-21-42(50)48-32-46-39-18-6-4-16-37(39)38-17-5-7-19-40(38)47(46)33-52(48)55/h1-33H.
What are the key properties of 9-phenyl-2-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-ylcarbazole?
9-phenyl-2-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-ylcarbazole has a molecular weight of 707.88 g/mol, XLogP of 14.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-2-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-ylcarbazole is sourced from PubChem (CID 134528134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).