N-(9,9-dimethylfluoren-2-yl)-N,5-diphenyl-7a,11a-dihydronaphtho[2,1-b][1]benzofuran-11-amine

C43H33NO — CID 170301533

IUPACN-(9,9-dimethylfluoren-2-yl)-N,5-diphenyl-7a,11a-dihydronaphtho[2,1-b][1]benzofuran-11-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(C3=CC=CC4Oc5cc(-c6ccccc6)c6ccccc6c5C34)c3ccccc3)cc21
InChIInChI=1S/C43H33NO/c1-43(2)36-21-12-11-19-32(36)33-25-24-30(26-37(33)43)44(29-16-7-4-8-17-29)38-22-13-23-39-42(38)41-34-20-10-9-18-31(34)35(27-40(41)45-39)28-14-5-3-6-15-28/h3-27,39,42H,1-2H3
InChIKeyHENKCMQTCAHJAM-UHFFFAOYSA-N
MW579.74 g/mol
LogP10.95
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-N,5-diphenyl-7a,11a-dihydronaphtho[2,1-b][1]benzofuran-11-amine

N-(9,9-dimethylfluoren-2-yl)-N,5-diphenyl-7a,11a-dihydronaphtho[2,1-b][1]benzofuran-11-amine (PubChem CID 170301533) has the molecular formula C43H33NO and a molecular weight of 579.74 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N,5-diphenyl-7a,11a-dihydronaphtho[2,1-b][1]benzofuran-11-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N,5-diphenyl-7a,11a-dihydronaphtho[2,1-b][1]benzofuran-11-amine
PubChem CID170301533
Molecular FormulaC43H33NO
Molecular Weight579.74 g/mol
Exact Mass579.26
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N,5-diphenyl-7a,11a-dihydronaphtho[2,1-b][1]benzofuran-11-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(C3=CC=CC4Oc5cc(-c6ccccc6)c6ccccc6c5C34)c3ccccc3)cc21
InChIInChI=1S/C43H33NO/c1-43(2)36-21-12-11-19-32(36)33-25-24-30(26-37(33)43)44(29-16-7-4-8-17-29)38-22-13-23-39-42(38)41-34-20-10-9-18-31(34)35(27-40(41)45-39)28-14-5-3-6-15-28/h3-27,39,42H,1-2H3
InChIKeyHENKCMQTCAHJAM-UHFFFAOYSA-N
XLogP10.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.74
LogP ≤ 510.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-5-phenyl-7a,11a-dihydronaphtho[2,1-b][1]benzofuran-11-amine
CID 170301593
N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 176611399
N-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121298487
1-N,6-N-bis(9,9-dimethylfluoren-2-yl)-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine
CID 58322989
9,9-dimethyl-N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]fluoren-2-amine
CID 59221599
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)-2-phenylphenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 137389722
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N,N-bis[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168771647
9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155303624
9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 163612523
9,9-dimethyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-11-yl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 176808413

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N,5-diphenyl-7a,11a-dihydronaphtho[2,1-b][1]benzofuran-11-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N,5-diphenyl-7a,11a-dihydronaphtho[2,1-b][1]benzofuran-11-amine (CID 170301533) is N-(9,9-dimethylfluoren-2-yl)-N,5-diphenyl-7a,11a-dihydronaphtho[2,1-b][1]benzofuran-11-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N,5-diphenyl-7a,11a-dihydronaphtho[2,1-b][1]benzofuran-11-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N,5-diphenyl-7a,11a-dihydronaphtho[2,1-b][1]benzofuran-11-amine is CC1(C)c2ccccc2-c2ccc(N(C3=CC=CC4Oc5cc(-c6ccccc6)c6ccccc6c5C34)c3ccccc3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N,5-diphenyl-7a,11a-dihydronaphtho[2,1-b][1]benzofuran-11-amine?
The InChIKey is HENKCMQTCAHJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33NO/c1-43(2)36-21-12-11-19-32(36)33-25-24-30(26-37(33)43)44(29-16-7-4-8-17-29)38-22-13-23-39-42(38)41-34-20-10-9-18-31(34)35(27-40(41)45-39)28-14-5-3-6-15-28/h3-27,39,42H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N,5-diphenyl-7a,11a-dihydronaphtho[2,1-b][1]benzofuran-11-amine?
N-(9,9-dimethylfluoren-2-yl)-N,5-diphenyl-7a,11a-dihydronaphtho[2,1-b][1]benzofuran-11-amine has a molecular weight of 579.74 g/mol, XLogP of 10.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N,5-diphenyl-7a,11a-dihydronaphtho[2,1-b][1]benzofuran-11-amine is sourced from PubChem (CID 170301533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).