2,8-bis(9,9-dimethylfluoren-2-yl)-4-(4-phenanthren-9-ylphenyl)dibenzofuran;2,8-bis(4-naphthalen-2-ylphenyl)-4-(4-phenanthren-9-ylphenyl)dibenzofuran

C126H84O2 — CID 157340678

IUPAC2,8-bis(9,9-dimethylfluoren-2-yl)-4-(4-phenanthren-9-ylphenyl)dibenzofuran;2,8-bis(4-naphthalen-2-ylphenyl)-4-(4-phenanthren-9-ylphenyl)dibenzofuran
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4oc5c(-c6ccc(-c7cc8ccccc8c8ccccc78)cc6)cc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5c4c3)cc21.c1ccc2cc(-c3ccc(-c4ccc5oc6c(-c7ccc(-c8cc9ccccc9c9ccccc89)cc7)cc(-c7ccc(-c8ccc9ccccc9c8)cc7)cc6c5c4)cc3)ccc2c1
InChIInChI=1S/C64H40O.C62H44O/c1-3-11-49-35-51(31-25-41(49)9-1)43-17-19-45(20-18-43)53-33-34-63-61(37-53)62-40-55(46-23-21-44(22-24-46)52-32-26-42-10-2-4-12-50(42)36-52)39-60(64(62)65-63)48-29-27-47(28-30-48)59-38-54-13-5-6-14-56(54)57-15-7-8-16-58(57)59;1-61(2)55-19-11-9-17-47(55)49-28-25-40(35-57(49)61)39-27-30-59-53(31-39)54-34-43(41-26-29-50-48-18-10-12-20-56(48)62(3,4)58(50)36-41)33-52(60(54)63-59)38-23-21-37(22-24-38)51-32-42-13-5-6-14-44(42)45-15-7-8-16-46(45)51/h1-40H;5-36H,1-4H3
InChIKeyBGIXHEZTRMKALO-UHFFFAOYSA-N
MW1630.06 g/mol
LogP35.37
Rot. Bonds10

About 2,8-bis(9,9-dimethylfluoren-2-yl)-4-(4-phenanthren-9-ylphenyl)dibenzofuran;2,8-bis(4-naphthalen-2-ylphenyl)-4-(4-phenanthren-9-ylphenyl)dibenzofuran

2,8-bis(9,9-dimethylfluoren-2-yl)-4-(4-phenanthren-9-ylphenyl)dibenzofuran;2,8-bis(4-naphthalen-2-ylphenyl)-4-(4-phenanthren-9-ylphenyl)dibenzofuran (PubChem CID 157340678) has the molecular formula C126H84O2 and a molecular weight of 1630.06 g/mol. Its IUPAC name is 2,8-bis(9,9-dimethylfluoren-2-yl)-4-(4-phenanthren-9-ylphenyl)dibenzofuran;2,8-bis(4-naphthalen-2-ylphenyl)-4-(4-phenanthren-9-ylphenyl)dibenzofuran.

Molecular Properties

Compound Name2,8-bis(9,9-dimethylfluoren-2-yl)-4-(4-phenanthren-9-ylphenyl)dibenzofuran;2,8-bis(4-naphthalen-2-ylphenyl)-4-(4-phenanthren-9-ylphenyl)dibenzofuran
PubChem CID157340678
Molecular FormulaC126H84O2
Molecular Weight1630.06 g/mol
Exact Mass1628.65
IUPAC Name2,8-bis(9,9-dimethylfluoren-2-yl)-4-(4-phenanthren-9-ylphenyl)dibenzofuran;2,8-bis(4-naphthalen-2-ylphenyl)-4-(4-phenanthren-9-ylphenyl)dibenzofuran
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4oc5c(-c6ccc(-c7cc8ccccc8c8ccccc78)cc6)cc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5c4c3)cc21.c1ccc2cc(-c3ccc(-c4ccc5oc6c(-c7ccc(-c8cc9ccccc9c9ccccc89)cc7)cc(-c7ccc(-c8ccc9ccccc9c8)cc7)cc6c5c4)cc3)ccc2c1
InChIInChI=1S/C64H40O.C62H44O/c1-3-11-49-35-51(31-25-41(49)9-1)43-17-19-45(20-18-43)53-33-34-63-61(37-53)62-40-55(46-23-21-44(22-24-46)52-32-26-42-10-2-4-12-50(42)36-52)39-60(64(62)65-63)48-29-27-47(28-30-48)59-38-54-13-5-6-14-56(54)57-15-7-8-16-58(57)59;1-61(2)55-19-11-9-17-47(55)49-28-25-40(35-57(49)61)39-27-30-59-53(31-39)54-34-43(41-26-29-50-48-18-10-12-20-56(48)62(3,4)58(50)36-41)33-52(60(54)63-59)38-23-21-37(22-24-38)51-32-42-13-5-6-14-44(42)45-15-7-8-16-46(45)51/h1-40H;5-36H,1-4H3
InChIKeyBGIXHEZTRMKALO-UHFFFAOYSA-N
XLogP35.37
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms128
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001630.06
LogP ≤ 535.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,8-bis(9,9-dimethylfluoren-2-yl)-4-(4-phenanthren-9-ylphenyl)dibenzofuran;2,8-bis(4-naphthalen-2-ylphenyl)-4-(4-phenanthren-9-ylphenyl)dibenzofuran with MolForge

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Related Compounds

9-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-5-naphthalen-2-ylphenyl]phenanthrene
CID 58569461
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-ylanthracene;9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene;2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;2-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;4-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran;2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran
CID 161122993
9,9-dimethyl-2-(4-methylphenyl)fluorene;2-(4-methylphenyl)dibenzofuran;1-(4-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;9-(4-methylphenyl)phenanthrene;2-methylpyridine
CID 157304486
9,9-dimethyl-N-[4-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-N-phenylfluoren-2-amine
CID 167143361
2-[4-[2,8-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-1,3-benzoxazole
CID 67888489
2-[3-[8-(9,9-dimethylfluoren-2-yl)-2-phenyldibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121244814
2-(9,9-dimethylfluoren-2-yl)-9,10-dinaphthalen-2-ylanthracene;9,10-dinaphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene;9,10-dinaphthalen-2-yl-2-phenanthren-9-ylanthracene
CID 162036114
11-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran
CID 176777590
4-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)dibenzofuran
CID 87688488
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-yl-2-phenylanthracene;2,9-dinaphthalen-1-yl-10-naphthalen-2-ylanthracene;2,10-dinaphthalen-1-yl-9-naphthalen-2-ylanthracene;2,10-dinaphthalen-1-yl-9-(4-naphthalen-1-ylphenyl)anthracene;2,9-dinaphthalen-1-yl-10-phenanthren-9-ylanthracene;2-naphthalen-1-yl-9,10-dinaphthalen-2-ylanthracene;2-naphthalen-1-yl-10-naphthalen-2-yl-9-phenanthren-9-ylanthracene;2-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)dibenzofuran
CID 167540255
9,10-bis(9,9-dimethylfluoren-2-yl)-2-(10-naphthalen-2-ylanthracen-9-yl)anthracene;9,10-bis(9,9-dimethylfluoren-2-yl)-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;2-(9,9-dimethylfluoren-2-yl)-9,10-bis(4-phenylphenyl)anthracene;2-(10-naphthalen-2-ylanthracen-9-yl)-9,10-bis(4-phenylphenyl)anthracene;2-phenanthren-9-yl-9,10-bis(4-phenylphenyl)anthracene
CID 157129330
10,10,12,12-tetramethyl-8-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]indeno[2,1-b]fluorene
CID 140710765

Frequently Asked Questions

What is the IUPAC name of 2,8-bis(9,9-dimethylfluoren-2-yl)-4-(4-phenanthren-9-ylphenyl)dibenzofuran;2,8-bis(4-naphthalen-2-ylphenyl)-4-(4-phenanthren-9-ylphenyl)dibenzofuran?
The IUPAC name of 2,8-bis(9,9-dimethylfluoren-2-yl)-4-(4-phenanthren-9-ylphenyl)dibenzofuran;2,8-bis(4-naphthalen-2-ylphenyl)-4-(4-phenanthren-9-ylphenyl)dibenzofuran (CID 157340678) is 2,8-bis(9,9-dimethylfluoren-2-yl)-4-(4-phenanthren-9-ylphenyl)dibenzofuran;2,8-bis(4-naphthalen-2-ylphenyl)-4-(4-phenanthren-9-ylphenyl)dibenzofuran.
What is the SMILES notation for 2,8-bis(9,9-dimethylfluoren-2-yl)-4-(4-phenanthren-9-ylphenyl)dibenzofuran;2,8-bis(4-naphthalen-2-ylphenyl)-4-(4-phenanthren-9-ylphenyl)dibenzofuran?
The canonical SMILES for 2,8-bis(9,9-dimethylfluoren-2-yl)-4-(4-phenanthren-9-ylphenyl)dibenzofuran;2,8-bis(4-naphthalen-2-ylphenyl)-4-(4-phenanthren-9-ylphenyl)dibenzofuran is CC1(C)c2ccccc2-c2ccc(-c3ccc4oc5c(-c6ccc(-c7cc8ccccc8c8ccccc78)cc6)cc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5c4c3)cc21.c1ccc2cc(-c3ccc(-c4ccc5oc6c(-c7ccc(-c8cc9ccccc9c9ccccc89)cc7)cc(-c7ccc(-c8ccc9ccccc9c8)cc7)cc6c5c4)cc3)ccc2c1.
What is the InChIKey of 2,8-bis(9,9-dimethylfluoren-2-yl)-4-(4-phenanthren-9-ylphenyl)dibenzofuran;2,8-bis(4-naphthalen-2-ylphenyl)-4-(4-phenanthren-9-ylphenyl)dibenzofuran?
The InChIKey is BGIXHEZTRMKALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40O.C62H44O/c1-3-11-49-35-51(31-25-41(49)9-1)43-17-19-45(20-18-43)53-33-34-63-61(37-53)62-40-55(46-23-21-44(22-24-46)52-32-26-42-10-2-4-12-50(42)36-52)39-60(64(62)65-63)48-29-27-47(28-30-48)59-38-54-13-5-6-14-56(54)57-15-7-8-16-58(57)59;1-61(2)55-19-11-9-17-47(55)49-28-25-40(35-57(49)61)39-27-30-59-53(31-39)54-34-43(41-26-29-50-48-18-10-12-20-56(48)62(3,4)58(50)36-41)33-52(60(54)63-59)38-23-21-37(22-24-38)51-32-42-13-5-6-14-44(42)45-15-7-8-16-46(45)51/h1-40H;5-36H,1-4H3.
What are the key properties of 2,8-bis(9,9-dimethylfluoren-2-yl)-4-(4-phenanthren-9-ylphenyl)dibenzofuran;2,8-bis(4-naphthalen-2-ylphenyl)-4-(4-phenanthren-9-ylphenyl)dibenzofuran?
2,8-bis(9,9-dimethylfluoren-2-yl)-4-(4-phenanthren-9-ylphenyl)dibenzofuran;2,8-bis(4-naphthalen-2-ylphenyl)-4-(4-phenanthren-9-ylphenyl)dibenzofuran has a molecular weight of 1630.06 g/mol, XLogP of 35.37, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-bis(9,9-dimethylfluoren-2-yl)-4-(4-phenanthren-9-ylphenyl)dibenzofuran;2,8-bis(4-naphthalen-2-ylphenyl)-4-(4-phenanthren-9-ylphenyl)dibenzofuran is sourced from PubChem (CID 157340678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).