N-(7,7-dimethyl-1,2-dihydrobenzo[c]fluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine

C43H33NO — CID 170093583

IUPACN-(7,7-dimethyl-1,2-dihydrobenzo[c]fluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2c1ccc1c2CC(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)oc2ccccc23)C=C1
InChIInChI=1S/C43H33NO/c1-43(2)38-14-8-6-13-36(38)42-37-26-32(22-18-30(37)19-25-39(42)43)44(31-20-16-29(17-21-31)28-10-4-3-5-11-28)33-23-24-35-34-12-7-9-15-40(34)45-41(35)27-33/h3-25,27,32H,26H2,1-2H3
InChIKeyBJHVSKWALDGHLM-UHFFFAOYSA-N
MW579.74 g/mol
LogP11.34
Rot. Bonds4

About N-(7,7-dimethyl-1,2-dihydrobenzo[c]fluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine

N-(7,7-dimethyl-1,2-dihydrobenzo[c]fluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine (PubChem CID 170093583) has the molecular formula C43H33NO and a molecular weight of 579.74 g/mol. Its IUPAC name is N-(7,7-dimethyl-1,2-dihydrobenzo[c]fluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(7,7-dimethyl-1,2-dihydrobenzo[c]fluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
PubChem CID170093583
Molecular FormulaC43H33NO
Molecular Weight579.74 g/mol
Exact Mass579.26
IUPAC NameN-(7,7-dimethyl-1,2-dihydrobenzo[c]fluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2c1ccc1c2CC(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)oc2ccccc23)C=C1
InChIInChI=1S/C43H33NO/c1-43(2)38-14-8-6-13-36(38)42-37-26-32(22-18-30(37)19-25-39(42)43)44(31-20-16-29(17-21-31)28-10-4-3-5-11-28)33-23-24-35-34-12-7-9-15-40(34)45-41(35)27-33/h3-25,27,32H,26H2,1-2H3
InChIKeyBJHVSKWALDGHLM-UHFFFAOYSA-N
XLogP11.34
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.74
LogP ≤ 511.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzofuran-3-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4-phenylaniline
CID 168839392
N-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 169039560
N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 168771541
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)dibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine;N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 161445585
2-dibenzofuran-3-yl-4-(9,9-dimethylfluoren-4-yl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170681339
N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-6,6,12,12-tetramethyl-9-phenylindeno[1,2-b]fluoren-2-amine
CID 138455866
N-(7,7-dimethyl-9,10-dihydrofluoreno[5,6-b][1]benzofuran-9-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine
CID 167112713
2-dibenzofuran-3-yl-4-(22,22-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),16,18,20,24-dodecaenyl)-6-phenyl-1,3,5-triazine
CID 164721515
N-(4-dibenzofuran-3-ylcyclohexa-2,4-dien-1-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-amine;ethane
CID 142481048
7-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 67964420
3-[10-(9,9,14,14-tetramethyl-6-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)anthracen-9-yl]dibenzofuran
CID 122426220
N-(4-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170139719

Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethyl-1,2-dihydrobenzo[c]fluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-(7,7-dimethyl-1,2-dihydrobenzo[c]fluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine (CID 170093583) is N-(7,7-dimethyl-1,2-dihydrobenzo[c]fluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-(7,7-dimethyl-1,2-dihydrobenzo[c]fluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-(7,7-dimethyl-1,2-dihydrobenzo[c]fluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine is CC1(C)c2ccccc2-c2c1ccc1c2CC(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)oc2ccccc23)C=C1.
What is the InChIKey of N-(7,7-dimethyl-1,2-dihydrobenzo[c]fluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is BJHVSKWALDGHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33NO/c1-43(2)38-14-8-6-13-36(38)42-37-26-32(22-18-30(37)19-25-39(42)43)44(31-20-16-29(17-21-31)28-10-4-3-5-11-28)33-23-24-35-34-12-7-9-15-40(34)45-41(35)27-33/h3-25,27,32H,26H2,1-2H3.
What are the key properties of N-(7,7-dimethyl-1,2-dihydrobenzo[c]fluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
N-(7,7-dimethyl-1,2-dihydrobenzo[c]fluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine has a molecular weight of 579.74 g/mol, XLogP of 11.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-dimethyl-1,2-dihydrobenzo[c]fluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 170093583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).