N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4b,8a-dihydrophenanthren-9-amine

C53H39NO — CID 118486996

IUPACN-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4b,8a-dihydrophenanthren-9-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(C4=Cc5ccccc5C5C=CC=CC45)c4cccc(-c5cccc6c5oc5ccccc56)c4)cc3)cc21
InChIInChI=1S/C53H39NO/c1-53(2)48-23-9-7-18-43(48)44-30-27-35(32-49(44)53)34-25-28-38(29-26-34)54(50-33-37-13-3-4-16-40(37)42-17-5-6-19-45(42)50)39-15-11-14-36(31-39)41-21-12-22-47-46-20-8-10-24-51(46)55-52(41)47/h3-33,42,45H,1-2H3
InChIKeyIDONUGPRTXUAHS-UHFFFAOYSA-N
MW705.90 g/mol
LogP14.24
Rot. Bonds5

About N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4b,8a-dihydrophenanthren-9-amine

N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4b,8a-dihydrophenanthren-9-amine (PubChem CID 118486996) has the molecular formula C53H39NO and a molecular weight of 705.90 g/mol. Its IUPAC name is N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4b,8a-dihydrophenanthren-9-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4b,8a-dihydrophenanthren-9-amine
PubChem CID118486996
Molecular FormulaC53H39NO
Molecular Weight705.90 g/mol
Exact Mass705.30
IUPAC NameN-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4b,8a-dihydrophenanthren-9-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(C4=Cc5ccccc5C5C=CC=CC45)c4cccc(-c5cccc6c5oc5ccccc56)c4)cc3)cc21
InChIInChI=1S/C53H39NO/c1-53(2)48-23-9-7-18-43(48)44-30-27-35(32-49(44)53)34-25-28-38(29-26-34)54(50-33-37-13-3-4-16-40(37)42-17-5-6-19-45(42)50)39-15-11-14-36(31-39)41-21-12-22-47-46-20-8-10-24-51(46)55-52(41)47/h3-33,42,45H,1-2H3
InChIKeyIDONUGPRTXUAHS-UHFFFAOYSA-N
XLogP14.24
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.90
LogP ≤ 514.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-dibenzofuran-4-yl-N-[4-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-3-yl)phenyl]-N-phenylaniline
CID 168839393
N-(3-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168839606
3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]aniline
CID 168839786
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964252
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964212
8-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 88534252
N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-4b,8a-dihydrophenanthren-9-amine
CID 118486980
N-(4-dibenzofuran-4-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-3-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 146270984
N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-3-(9,9-dimethyl-7-phenylfluoren-3-yl)aniline
CID 168839587
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964106
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 139567960
7-dibenzofuran-2-yl-N-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-phenylfluoren-2-amine;7-dibenzofuran-2-yl-N-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;7-dibenzofuran-4-yl-N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 159734238

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4b,8a-dihydrophenanthren-9-amine?
The IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4b,8a-dihydrophenanthren-9-amine (CID 118486996) is N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4b,8a-dihydrophenanthren-9-amine.
What is the SMILES notation for N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4b,8a-dihydrophenanthren-9-amine?
The canonical SMILES for N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4b,8a-dihydrophenanthren-9-amine is CC1(C)c2ccccc2-c2ccc(-c3ccc(N(C4=Cc5ccccc5C5C=CC=CC45)c4cccc(-c5cccc6c5oc5ccccc56)c4)cc3)cc21.
What is the InChIKey of N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4b,8a-dihydrophenanthren-9-amine?
The InChIKey is IDONUGPRTXUAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H39NO/c1-53(2)48-23-9-7-18-43(48)44-30-27-35(32-49(44)53)34-25-28-38(29-26-34)54(50-33-37-13-3-4-16-40(37)42-17-5-6-19-45(42)50)39-15-11-14-36(31-39)41-21-12-22-47-46-20-8-10-24-51(46)55-52(41)47/h3-33,42,45H,1-2H3.
What are the key properties of N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4b,8a-dihydrophenanthren-9-amine?
N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4b,8a-dihydrophenanthren-9-amine has a molecular weight of 705.90 g/mol, XLogP of 14.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4b,8a-dihydrophenanthren-9-amine is sourced from PubChem (CID 118486996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).