N-[9,9-dimethyl-7-(9-methylfluoren-9-yl)fluoren-2-yl]-N-phenyldibenzofuran-3-amine

C47H35NO — CID 140919877

IUPACN-[9,9-dimethyl-7-(9-methylfluoren-9-yl)fluoren-2-yl]-N-phenyldibenzofuran-3-amine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc4c(c3)oc3ccccc34)ccc2-c2ccc(C3(C)c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C47H35NO/c1-46(2)42-27-30(47(3)40-18-10-7-15-34(40)35-16-8-11-19-41(35)47)21-24-36(42)37-25-22-32(28-43(37)46)48(31-13-5-4-6-14-31)33-23-26-39-38-17-9-12-20-44(38)49-45(39)29-33/h4-29H,1-3H3
InChIKeyXKJXDNXNDUZWTP-UHFFFAOYSA-N
MW629.80 g/mol
LogP12.70
Rot. Bonds4

About N-[9,9-dimethyl-7-(9-methylfluoren-9-yl)fluoren-2-yl]-N-phenyldibenzofuran-3-amine

N-[9,9-dimethyl-7-(9-methylfluoren-9-yl)fluoren-2-yl]-N-phenyldibenzofuran-3-amine (PubChem CID 140919877) has the molecular formula C47H35NO and a molecular weight of 629.80 g/mol. Its IUPAC name is N-[9,9-dimethyl-7-(9-methylfluoren-9-yl)fluoren-2-yl]-N-phenyldibenzofuran-3-amine.

Molecular Properties

Compound NameN-[9,9-dimethyl-7-(9-methylfluoren-9-yl)fluoren-2-yl]-N-phenyldibenzofuran-3-amine
PubChem CID140919877
Molecular FormulaC47H35NO
Molecular Weight629.80 g/mol
Exact Mass629.27
IUPAC NameN-[9,9-dimethyl-7-(9-methylfluoren-9-yl)fluoren-2-yl]-N-phenyldibenzofuran-3-amine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc4c(c3)oc3ccccc34)ccc2-c2ccc(C3(C)c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C47H35NO/c1-46(2)42-27-30(47(3)40-18-10-7-15-34(40)35-16-8-11-19-41(35)47)21-24-36(42)37-25-22-32(28-43(37)46)48(31-13-5-4-6-14-31)33-23-26-39-38-17-9-12-20-44(38)49-45(39)29-33/h4-29H,1-3H3
InChIKeyXKJXDNXNDUZWTP-UHFFFAOYSA-N
XLogP12.70
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.80
LogP ≤ 512.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-dibenzofuran-3-yl-N-[9,9-dimethyl-7-(9-phenylfluoren-9-yl)fluoren-2-yl]dibenzofuran-3-amine
CID 140919912
N-[4-[3-(9-methylfluoren-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 121400570
1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 71126705
7-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 67964420
4-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylaniline
CID 67964120
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-amine
CID 159623488
2-N,6-N-di(dibenzofuran-3-yl)-9,10-bis(9,9-dimethylfluoren-2-yl)-2-N,6-N-diphenylanthracene-2,6-diamine
CID 89254555
N-(9,9-dimethylfluoren-2-yl)-N-[4-[8-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]dibenzofuran-3-amine;N-phenyl-N-[4-[8-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]dibenzofuran-3-amine
CID 163494653
2-N,2-N-di(dibenzofuran-3-yl)-9,9-dimethyl-7-N-phenanthren-9-yl-7-N-phenylfluorene-2,7-diamine
CID 89295879
N-(3,4-diphenylphenyl)-9,9-dimethyl-7-(9-methylfluoren-9-yl)-N-phenylfluoren-2-amine
CID 140919895
N-[4-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-N-dibenzofuran-3-yldibenzofuran-3-amine
CID 70808654
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)dibenzofuran-3-amine
CID 171453577

Frequently Asked Questions

What is the IUPAC name of N-[9,9-dimethyl-7-(9-methylfluoren-9-yl)fluoren-2-yl]-N-phenyldibenzofuran-3-amine?
The IUPAC name of N-[9,9-dimethyl-7-(9-methylfluoren-9-yl)fluoren-2-yl]-N-phenyldibenzofuran-3-amine (CID 140919877) is N-[9,9-dimethyl-7-(9-methylfluoren-9-yl)fluoren-2-yl]-N-phenyldibenzofuran-3-amine.
What is the SMILES notation for N-[9,9-dimethyl-7-(9-methylfluoren-9-yl)fluoren-2-yl]-N-phenyldibenzofuran-3-amine?
The canonical SMILES for N-[9,9-dimethyl-7-(9-methylfluoren-9-yl)fluoren-2-yl]-N-phenyldibenzofuran-3-amine is CC1(C)c2cc(N(c3ccccc3)c3ccc4c(c3)oc3ccccc34)ccc2-c2ccc(C3(C)c4ccccc4-c4ccccc43)cc21.
What is the InChIKey of N-[9,9-dimethyl-7-(9-methylfluoren-9-yl)fluoren-2-yl]-N-phenyldibenzofuran-3-amine?
The InChIKey is XKJXDNXNDUZWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35NO/c1-46(2)42-27-30(47(3)40-18-10-7-15-34(40)35-16-8-11-19-41(35)47)21-24-36(42)37-25-22-32(28-43(37)46)48(31-13-5-4-6-14-31)33-23-26-39-38-17-9-12-20-44(38)49-45(39)29-33/h4-29H,1-3H3.
What are the key properties of N-[9,9-dimethyl-7-(9-methylfluoren-9-yl)fluoren-2-yl]-N-phenyldibenzofuran-3-amine?
N-[9,9-dimethyl-7-(9-methylfluoren-9-yl)fluoren-2-yl]-N-phenyldibenzofuran-3-amine has a molecular weight of 629.80 g/mol, XLogP of 12.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9,9-dimethyl-7-(9-methylfluoren-9-yl)fluoren-2-yl]-N-phenyldibenzofuran-3-amine is sourced from PubChem (CID 140919877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).