3-(4-phenylphenyl)spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]

C45H26 — CID 164845638

IUPAC3-(4-phenylphenyl)spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)-c3ccccc3C43c4cccc5c6cccc7ccc8ccc3c(c45)c8c76)cc2)cc1
InChIInChI=1S/C45H26/c1-2-8-27(9-3-1)28-16-18-29(19-17-28)32-23-24-38-36(26-32)33-11-4-5-14-37(33)45(38)39-15-7-13-35-34-12-6-10-30-20-21-31-22-25-40(45)44(43(35)39)42(31)41(30)34/h1-26H
InChIKeyNQNQPMAWNAUMFP-UHFFFAOYSA-N
MW566.70 g/mol
LogP11.75
Rot. Bonds2

About 3-(4-phenylphenyl)spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]

3-(4-phenylphenyl)spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene] (PubChem CID 164845638) has the molecular formula C45H26 and a molecular weight of 566.70 g/mol. Its IUPAC name is 3-(4-phenylphenyl)spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene].

Molecular Properties

Compound Name3-(4-phenylphenyl)spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]
PubChem CID164845638
Molecular FormulaC45H26
Molecular Weight566.70 g/mol
Exact Mass566.20
IUPAC Name3-(4-phenylphenyl)spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)-c3ccccc3C43c4cccc5c6cccc7ccc8ccc3c(c45)c8c76)cc2)cc1
InChIInChI=1S/C45H26/c1-2-8-27(9-3-1)28-16-18-29(19-17-28)32-23-24-38-36(26-32)33-11-4-5-14-37(33)45(38)39-15-7-13-35-34-12-6-10-30-20-21-31-22-25-40(45)44(43(35)39)42(31)41(30)34/h1-26H
InChIKeyNQNQPMAWNAUMFP-UHFFFAOYSA-N
XLogP11.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.70
LogP ≤ 511.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-(4-phenylphenyl)spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene] with MolForge

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Related Compounds

3,6-diphenylspiro[fluorene-9,19'-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaene]
CID 123456115
N,N-diphenyl-3-spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]-4-ylaniline;N,3-diphenyl-N-(4-spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]-4-ylphenyl)aniline;N-phenyl-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]-4-ylaniline
CID 167535037
3,3'-diphenyl-9,9'-spirobi[fluorene]
CID 58789520
2,4-diphenyl-6-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)pyridine
CID 153357708
methane;3-phenyl-9,9'-spirobi[fluorene]
CID 145237340
2-(3,5-diphenylphenyl)-4-phenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-yl-1,3,5-triazine
CID 153357827
4,6-diphenyl-2-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)pyrimidine
CID 153357817
8'-[3-(3-spiro[fluorene-9,19'-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaene]-8'-ylphenyl)phenyl]spiro[fluorene-9,19'-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaene]
CID 123626063
2-dibenzothiophen-3-yl-4-phenyl-6-(4-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)-1,3,5-triazine
CID 153357881
2,6-bis(9,9-dimethylfluoren-3-yl)spiro[fluorene-9,19'-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaene]
CID 123740748
3'-(10-phenylanthracen-9-yl)spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene]
CID 59702604
4'-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]-9,9'-spirobi[fluorene]
CID 156677063

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylphenyl)spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]?
The IUPAC name of 3-(4-phenylphenyl)spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene] (CID 164845638) is 3-(4-phenylphenyl)spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene].
What is the SMILES notation for 3-(4-phenylphenyl)spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]?
The canonical SMILES for 3-(4-phenylphenyl)spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene] is c1ccc(-c2ccc(-c3ccc4c(c3)-c3ccccc3C43c4cccc5c6cccc7ccc8ccc3c(c45)c8c76)cc2)cc1.
What is the InChIKey of 3-(4-phenylphenyl)spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]?
The InChIKey is NQNQPMAWNAUMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H26/c1-2-8-27(9-3-1)28-16-18-29(19-17-28)32-23-24-38-36(26-32)33-11-4-5-14-37(33)45(38)39-15-7-13-35-34-12-6-10-30-20-21-31-22-25-40(45)44(43(35)39)42(31)41(30)34/h1-26H.
What are the key properties of 3-(4-phenylphenyl)spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]?
3-(4-phenylphenyl)spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene] has a molecular weight of 566.70 g/mol, XLogP of 11.75, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylphenyl)spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene] is sourced from PubChem (CID 164845638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).