3'-(9H-fluoren-4-yl)spiro[benzo[c]fluorene-7,9'-fluorene]

C42H26 — CID 158727165

IUPAC3'-(9H-fluoren-4-yl)spiro[benzo[c]fluorene-7,9'-fluorene]
SMILESc1ccc2c(c1)Cc1cccc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4c3ccc3ccccc43)c1-2
InChIInChI=1S/C42H26/c1-3-13-30-26(10-1)20-23-39-41(30)34-16-6-8-19-37(34)42(39)36-18-7-5-15-33(36)35-25-28(21-22-38(35)42)32-17-9-12-29-24-27-11-2-4-14-31(27)40(29)32/h1-23,25H,24H2
InChIKeyQPNVYXVWIZBUTG-UHFFFAOYSA-N
MW530.67 g/mol
LogP10.42
Rot. Bonds1

About 3'-(9H-fluoren-4-yl)spiro[benzo[c]fluorene-7,9'-fluorene]

3'-(9H-fluoren-4-yl)spiro[benzo[c]fluorene-7,9'-fluorene] (PubChem CID 158727165) has the molecular formula C42H26 and a molecular weight of 530.67 g/mol. Its IUPAC name is 3'-(9H-fluoren-4-yl)spiro[benzo[c]fluorene-7,9'-fluorene].

Molecular Properties

Compound Name3'-(9H-fluoren-4-yl)spiro[benzo[c]fluorene-7,9'-fluorene]
PubChem CID158727165
Molecular FormulaC42H26
Molecular Weight530.67 g/mol
Exact Mass530.20
IUPAC Name3'-(9H-fluoren-4-yl)spiro[benzo[c]fluorene-7,9'-fluorene]
SMILESc1ccc2c(c1)Cc1cccc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4c3ccc3ccccc43)c1-2
InChIInChI=1S/C42H26/c1-3-13-30-26(10-1)20-23-39-41(30)34-16-6-8-19-37(34)42(39)36-18-7-5-15-33(36)35-25-28(21-22-38(35)42)32-17-9-12-29-24-27-11-2-4-14-31(27)40(29)32/h1-23,25H,24H2
InChIKeyQPNVYXVWIZBUTG-UHFFFAOYSA-N
XLogP10.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.67
LogP ≤ 510.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylspiro[fluorene-9,9'-xanthene]
CID 177126728
N-(9H-fluoren-2-yl)-N-(spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylmethyl)-9H-fluoren-4-amine
CID 157327402
tris(6,12-dihydroindeno[1,2-b]fluorene);ethane;phenanthrene;bis(9,9'-spirobi[fluorene])
CID 161230311
bis(6,12-dihydroindeno[1,2-b]fluorene);ethane;bis(9H-fluorene);phenanthrene;bis(9,9'-spirobi[fluorene])
CID 161124439
4'-methylspiro[benzo[c]fluorene-7,9'-fluorene]
CID 140792308
4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-4-yl-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 170036712
5-bromospiro[benzo[c]fluorene-7,9'-fluorene];spiro[benzo[c]fluorene-7,9'-fluorene]
CID 158615914
17'-phenanthren-3-ylspiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]
CID 58390382
5-(4-naphthalen-1-ylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]
CID 101471754
2,4-bis(3-phenylphenyl)-6-spiro[benzo[c]fluorene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazine
CID 134574249
3'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[benzo[a]phenalene-7,9'-fluorene]
CID 153485119
N-(9H-fluoren-1-yl)-N-(spiro[benzo[c]fluorene-7,9'-fluorene]-1'-ylmethyl)-9H-fluoren-2-amine;N-(9H-fluoren-2-yl)-N-(spiro[benzo[c]fluorene-7,9'-fluorene]-1'-ylmethyl)-9H-fluoren-2-amine;N-(9H-fluoren-2-yl)-N-(spiro[benzo[c]fluorene-7,9'-fluorene]-1'-ylmethyl)-9H-fluoren-3-amine;N-(9H-fluoren-2-yl)-N-(spiro[benzo[c]fluorene-7,9'-fluorene]-1'-ylmethyl)-9H-fluoren-4-amine
CID 158008520

Frequently Asked Questions

What is the IUPAC name of 3'-(9H-fluoren-4-yl)spiro[benzo[c]fluorene-7,9'-fluorene]?
The IUPAC name of 3'-(9H-fluoren-4-yl)spiro[benzo[c]fluorene-7,9'-fluorene] (CID 158727165) is 3'-(9H-fluoren-4-yl)spiro[benzo[c]fluorene-7,9'-fluorene].
What is the SMILES notation for 3'-(9H-fluoren-4-yl)spiro[benzo[c]fluorene-7,9'-fluorene]?
The canonical SMILES for 3'-(9H-fluoren-4-yl)spiro[benzo[c]fluorene-7,9'-fluorene] is c1ccc2c(c1)Cc1cccc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4c3ccc3ccccc43)c1-2.
What is the InChIKey of 3'-(9H-fluoren-4-yl)spiro[benzo[c]fluorene-7,9'-fluorene]?
The InChIKey is QPNVYXVWIZBUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26/c1-3-13-30-26(10-1)20-23-39-41(30)34-16-6-8-19-37(34)42(39)36-18-7-5-15-33(36)35-25-28(21-22-38(35)42)32-17-9-12-29-24-27-11-2-4-14-31(27)40(29)32/h1-23,25H,24H2.
What are the key properties of 3'-(9H-fluoren-4-yl)spiro[benzo[c]fluorene-7,9'-fluorene]?
3'-(9H-fluoren-4-yl)spiro[benzo[c]fluorene-7,9'-fluorene] has a molecular weight of 530.67 g/mol, XLogP of 10.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(9H-fluoren-4-yl)spiro[benzo[c]fluorene-7,9'-fluorene] is sourced from PubChem (CID 158727165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).