3,7-bis(7-benzo[c]phenanthren-5-ylnaphthalen-2-yl)dibenzofuran

C68H40O — CID 58569636

IUPAC3,7-bis(7-benzo[c]phenanthren-5-ylnaphthalen-2-yl)dibenzofuran
SMILESc1ccc2c(c1)ccc1cc(-c3ccc4ccc(-c5ccc6c(c5)oc5cc(-c7ccc8ccc(-c9cc%10ccc%11ccccc%11c%10c%10ccccc9%10)cc8c7)ccc56)cc4c3)c3ccccc3c12
InChIInChI=1S/C68H40O/c1-3-11-55-43(9-1)21-27-51-37-63(57-13-5-7-15-61(57)67(51)55)49-25-19-41-17-23-45(33-53(41)35-49)47-29-31-59-60-32-30-48(40-66(60)69-65(59)39-47)46-24-18-42-20-26-50(36-54(42)34-46)64-38-52-28-22-44-10-2-4-12-56(44)68(52)62-16-8-6-14-58(62)64/h1-40H
InChIKeyFPYWTHGJINVUBB-UHFFFAOYSA-N
MW873.07 g/mol
LogP19.48
Rot. Bonds4

About 3,7-bis(7-benzo[c]phenanthren-5-ylnaphthalen-2-yl)dibenzofuran

3,7-bis(7-benzo[c]phenanthren-5-ylnaphthalen-2-yl)dibenzofuran (PubChem CID 58569636) has the molecular formula C68H40O and a molecular weight of 873.07 g/mol. Its IUPAC name is 3,7-bis(7-benzo[c]phenanthren-5-ylnaphthalen-2-yl)dibenzofuran.

Molecular Properties

Compound Name3,7-bis(7-benzo[c]phenanthren-5-ylnaphthalen-2-yl)dibenzofuran
PubChem CID58569636
Molecular FormulaC68H40O
Molecular Weight873.07 g/mol
Exact Mass872.31
IUPAC Name3,7-bis(7-benzo[c]phenanthren-5-ylnaphthalen-2-yl)dibenzofuran
SMILESc1ccc2c(c1)ccc1cc(-c3ccc4ccc(-c5ccc6c(c5)oc5cc(-c7ccc8ccc(-c9cc%10ccc%11ccccc%11c%10c%10ccccc9%10)cc8c7)ccc56)cc4c3)c3ccccc3c12
InChIInChI=1S/C68H40O/c1-3-11-55-43(9-1)21-27-51-37-63(57-13-5-7-15-61(57)67(51)55)49-25-19-41-17-23-45(33-53(41)35-49)47-29-31-59-60-32-30-48(40-66(60)69-65(59)39-47)46-24-18-42-20-26-50(36-54(42)34-46)64-38-52-28-22-44-10-2-4-12-56(44)68(52)62-16-8-6-14-58(62)64/h1-40H
InChIKeyFPYWTHGJINVUBB-UHFFFAOYSA-N
XLogP19.48
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500873.07
LogP ≤ 519.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-phenanthren-9-yl-7-(7-phenanthren-9-ylnaphthalen-2-yl)dibenzofuran
CID 58569881
5-(7-benzo[c]phenanthren-5-ylnaphthalen-2-yl)benzo[c]phenanthrene
CID 123689290
3,7-bis(7-chrysen-6-ylnaphthalen-2-yl)dibenzofuran
CID 58569301
3-[4-(9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]dibenzofuran
CID 121287519
2-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)-8-phenanthren-9-yldibenzofuran
CID 58569484
5-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene
CID 58037147
8-naphthalen-2-yl-3-phenylbenzo[c]phenanthrene
CID 123277337
N-(4-benzo[c]phenanthren-5-ylphenyl)-N-dibenzofuran-3-yldibenzofuran-3-amine
CID 167181679
5-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]benzo[c]phenanthrene
CID 59622740
3-naphthalen-2-yldibenzofuran
CID 68932481
2-[6-(9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)naphthalen-2-yl]-8-phenyldibenzofuran
CID 58569882
9-[10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 134487809

Frequently Asked Questions

What is the IUPAC name of 3,7-bis(7-benzo[c]phenanthren-5-ylnaphthalen-2-yl)dibenzofuran?
The IUPAC name of 3,7-bis(7-benzo[c]phenanthren-5-ylnaphthalen-2-yl)dibenzofuran (CID 58569636) is 3,7-bis(7-benzo[c]phenanthren-5-ylnaphthalen-2-yl)dibenzofuran.
What is the SMILES notation for 3,7-bis(7-benzo[c]phenanthren-5-ylnaphthalen-2-yl)dibenzofuran?
The canonical SMILES for 3,7-bis(7-benzo[c]phenanthren-5-ylnaphthalen-2-yl)dibenzofuran is c1ccc2c(c1)ccc1cc(-c3ccc4ccc(-c5ccc6c(c5)oc5cc(-c7ccc8ccc(-c9cc%10ccc%11ccccc%11c%10c%10ccccc9%10)cc8c7)ccc56)cc4c3)c3ccccc3c12.
What is the InChIKey of 3,7-bis(7-benzo[c]phenanthren-5-ylnaphthalen-2-yl)dibenzofuran?
The InChIKey is FPYWTHGJINVUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H40O/c1-3-11-55-43(9-1)21-27-51-37-63(57-13-5-7-15-61(57)67(51)55)49-25-19-41-17-23-45(33-53(41)35-49)47-29-31-59-60-32-30-48(40-66(60)69-65(59)39-47)46-24-18-42-20-26-50(36-54(42)34-46)64-38-52-28-22-44-10-2-4-12-56(44)68(52)62-16-8-6-14-58(62)64/h1-40H.
What are the key properties of 3,7-bis(7-benzo[c]phenanthren-5-ylnaphthalen-2-yl)dibenzofuran?
3,7-bis(7-benzo[c]phenanthren-5-ylnaphthalen-2-yl)dibenzofuran has a molecular weight of 873.07 g/mol, XLogP of 19.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-bis(7-benzo[c]phenanthren-5-ylnaphthalen-2-yl)dibenzofuran is sourced from PubChem (CID 58569636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).