N-(9,9-dimethylfluoren-3-yl)-N-[4-(1-phenylcycloheptyl)phenyl]dibenzofuran-3-amine

C46H41NO — CID 174255082

IUPACN-(9,9-dimethylfluoren-3-yl)-N-[4-(1-phenylcycloheptyl)phenyl]dibenzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(C4(c5ccccc5)CCCCCC4)cc3)c3ccc4c(c3)oc3ccccc34)ccc21
InChIInChI=1S/C46H41NO/c1-45(2)41-18-10-8-16-37(41)40-30-35(25-27-42(40)45)47(36-24-26-39-38-17-9-11-19-43(38)48-44(39)31-36)34-22-20-33(21-23-34)46(28-12-3-4-13-29-46)32-14-6-5-7-15-32/h5-11,14-27,30-31H,3-4,12-13,28-29H2,1-2H3
InChIKeyLSOLZQTWANAMBR-UHFFFAOYSA-N
MW623.84 g/mol
LogP13.00
Rot. Bonds5

About N-(9,9-dimethylfluoren-3-yl)-N-[4-(1-phenylcycloheptyl)phenyl]dibenzofuran-3-amine

N-(9,9-dimethylfluoren-3-yl)-N-[4-(1-phenylcycloheptyl)phenyl]dibenzofuran-3-amine (PubChem CID 174255082) has the molecular formula C46H41NO and a molecular weight of 623.84 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-3-yl)-N-[4-(1-phenylcycloheptyl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-3-yl)-N-[4-(1-phenylcycloheptyl)phenyl]dibenzofuran-3-amine
PubChem CID174255082
Molecular FormulaC46H41NO
Molecular Weight623.84 g/mol
Exact Mass623.32
IUPAC NameN-(9,9-dimethylfluoren-3-yl)-N-[4-(1-phenylcycloheptyl)phenyl]dibenzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(C4(c5ccccc5)CCCCCC4)cc3)c3ccc4c(c3)oc3ccccc34)ccc21
InChIInChI=1S/C46H41NO/c1-45(2)41-18-10-8-16-37(41)40-30-35(25-27-42(40)45)47(36-24-26-39-38-17-9-11-19-43(38)48-44(39)31-36)34-22-20-33(21-23-34)46(28-12-3-4-13-29-46)32-14-6-5-7-15-32/h5-11,14-27,30-31H,3-4,12-13,28-29H2,1-2H3
InChIKeyLSOLZQTWANAMBR-UHFFFAOYSA-N
XLogP13.00
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.84
LogP ≤ 513.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-naphthalen-2-yl-N-[4-(1-phenylcyclooctyl)phenyl]dibenzofuran-3-amine
CID 174255268
N-dibenzofuran-3-yl-N-[9,9-diphenyl-6-(9-phenylfluoren-9-yl)fluoren-3-yl]dibenzofuran-3-amine
CID 140919850
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(9,9-dimethylfluoren-3-yl)dibenzofuran-3-amine
CID 167182629
N-(4-dibenzofuran-3-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4-phenylaniline
CID 168839392
9,9-dimethyl-N-[4-(1-phenylcyclohexyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 174254615
N-[9,9-dimethyl-7-(9-methylfluoren-9-yl)fluoren-2-yl]-N-phenyldibenzofuran-3-amine
CID 140919877
N-dibenzofuran-3-yl-N-[9,9-dimethyl-7-(9-phenylfluoren-9-yl)fluoren-2-yl]dibenzofuran-3-amine
CID 140919912
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 67964223
5-N-dibenzofuran-3-yl-16-N-(9,9-dimethylfluoren-3-yl)-8,8-dimethyl-5-N,16-N-diphenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
CID 118633503
N-(4-dibenzofuran-3-ylphenyl)-3-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 168839418
4-N-dibenzofuran-2-yl-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 138667387
N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[4-(1-phenylcyclooctyl)phenyl]dibenzofuran-3-amine
CID 174255291

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-3-yl)-N-[4-(1-phenylcycloheptyl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-3-yl)-N-[4-(1-phenylcycloheptyl)phenyl]dibenzofuran-3-amine (CID 174255082) is N-(9,9-dimethylfluoren-3-yl)-N-[4-(1-phenylcycloheptyl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-3-yl)-N-[4-(1-phenylcycloheptyl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-3-yl)-N-[4-(1-phenylcycloheptyl)phenyl]dibenzofuran-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc(C4(c5ccccc5)CCCCCC4)cc3)c3ccc4c(c3)oc3ccccc34)ccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-3-yl)-N-[4-(1-phenylcycloheptyl)phenyl]dibenzofuran-3-amine?
The InChIKey is LSOLZQTWANAMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H41NO/c1-45(2)41-18-10-8-16-37(41)40-30-35(25-27-42(40)45)47(36-24-26-39-38-17-9-11-19-43(38)48-44(39)31-36)34-22-20-33(21-23-34)46(28-12-3-4-13-29-46)32-14-6-5-7-15-32/h5-11,14-27,30-31H,3-4,12-13,28-29H2,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-3-yl)-N-[4-(1-phenylcycloheptyl)phenyl]dibenzofuran-3-amine?
N-(9,9-dimethylfluoren-3-yl)-N-[4-(1-phenylcycloheptyl)phenyl]dibenzofuran-3-amine has a molecular weight of 623.84 g/mol, XLogP of 13.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-3-yl)-N-[4-(1-phenylcycloheptyl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 174255082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).