N-(2-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-amine

C49H35NO — CID 167324779

IUPACN-(2-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccccc4-c4cccc5oc6ccccc6c45)c4cccc5ccccc45)cc3)cc21
InChIInChI=1S/C49H35NO/c1-49(2)42-20-8-5-16-37(42)38-30-27-34(31-43(38)49)32-25-28-35(29-26-32)50(44-22-11-14-33-13-3-4-15-36(33)44)45-21-9-6-17-39(45)40-19-12-24-47-48(40)41-18-7-10-23-46(41)51-47/h3-31H,1-2H3
InChIKeyFFAOGFAQPBUZEI-UHFFFAOYSA-N
MW653.83 g/mol
LogP13.85
Rot. Bonds5

About N-(2-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-amine

N-(2-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-amine (PubChem CID 167324779) has the molecular formula C49H35NO and a molecular weight of 653.83 g/mol. Its IUPAC name is N-(2-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-(2-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-amine
PubChem CID167324779
Molecular FormulaC49H35NO
Molecular Weight653.83 g/mol
Exact Mass653.27
IUPAC NameN-(2-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccccc4-c4cccc5oc6ccccc6c45)c4cccc5ccccc45)cc3)cc21
InChIInChI=1S/C49H35NO/c1-49(2)42-20-8-5-16-37(42)38-30-27-34(31-43(38)49)32-25-28-35(29-26-32)50(44-22-11-14-33-13-3-4-15-36(33)44)45-21-9-6-17-39(45)40-19-12-24-47-48(40)41-18-7-10-23-46(41)51-47/h3-31H,1-2H3
InChIKeyFFAOGFAQPBUZEI-UHFFFAOYSA-N
XLogP13.85
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.83
LogP ≤ 513.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-amine
CID 167324589
N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine
CID 71126693
N-[4-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
CID 71126681
N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N-[4-(2,3,5,6-tetradeuterio-4-phenylphenyl)phenyl]fluoren-2-amine
CID 176583353
N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-7-naphthalen-2-yl-N-phenylfluoren-2-amine
CID 176583116
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 139568351
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yldibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 157179912
N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 157298586
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 168788461
N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 176583150
9,9-dimethyl-N-[2-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-6-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 167121523
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)dibenzofuran-1-amine
CID 177121656

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-amine?
The IUPAC name of N-(2-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-amine (CID 167324779) is N-(2-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N-(2-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-amine?
The canonical SMILES for N-(2-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-amine is CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccccc4-c4cccc5oc6ccccc6c45)c4cccc5ccccc45)cc3)cc21.
What is the InChIKey of N-(2-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-amine?
The InChIKey is FFAOGFAQPBUZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35NO/c1-49(2)42-20-8-5-16-37(42)38-30-27-34(31-43(38)49)32-25-28-35(29-26-32)50(44-22-11-14-33-13-3-4-15-36(33)44)45-21-9-6-17-39(45)40-19-12-24-47-48(40)41-18-7-10-23-46(41)51-47/h3-31H,1-2H3.
What are the key properties of N-(2-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-amine?
N-(2-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-amine has a molecular weight of 653.83 g/mol, XLogP of 13.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 167324779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).