N-[7-[5-(N-dibenzofuran-4-yl-4-phenylanilino)-7-methylbenzo[c]fluoren-7-yl]-7-methylbenzo[c]fluoren-5-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine

C84H56N2O2 — CID 140862629

IUPACN-[7-[5-(N-dibenzofuran-4-yl-4-phenylanilino)-7-methylbenzo[c]fluoren-7-yl]-7-methylbenzo[c]fluoren-5-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESCC1(C2(C)c3ccccc3-c3c2cc(N(c2ccc(-c4ccccc4)cc2)c2cccc4c2oc2ccccc24)c2ccccc32)c2ccccc2-c2c1cc(N(c1ccc(-c3ccccc3)cc1)c1cccc3c1oc1ccccc13)c1ccccc21
InChIInChI=1S/C84H56N2O2/c1-83(69-37-17-13-33-67(69)79-63-31-11-9-27-59(63)75(51-71(79)83)85(57-47-43-55(44-48-57)53-23-5-3-6-24-53)73-39-21-35-65-61-29-15-19-41-77(61)87-81(65)73)84(2)70-38-18-14-34-68(70)80-64-32-12-10-28-60(64)76(52-72(80)84)86(58-49-45-56(46-50-58)54-25-7-4-8-26-54)74-40-22-36-66-62-30-16-20-42-78(62)88-82(66)74/h3-52H,1-2H3
InChIKeyPNOXUCQRCRBYCE-UHFFFAOYSA-N
MW1125.38 g/mol
LogP23.34
Rot. Bonds9

About N-[7-[5-(N-dibenzofuran-4-yl-4-phenylanilino)-7-methylbenzo[c]fluoren-7-yl]-7-methylbenzo[c]fluoren-5-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine

N-[7-[5-(N-dibenzofuran-4-yl-4-phenylanilino)-7-methylbenzo[c]fluoren-7-yl]-7-methylbenzo[c]fluoren-5-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine (PubChem CID 140862629) has the molecular formula C84H56N2O2 and a molecular weight of 1125.38 g/mol. Its IUPAC name is N-[7-[5-(N-dibenzofuran-4-yl-4-phenylanilino)-7-methylbenzo[c]fluoren-7-yl]-7-methylbenzo[c]fluoren-5-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-[7-[5-(N-dibenzofuran-4-yl-4-phenylanilino)-7-methylbenzo[c]fluoren-7-yl]-7-methylbenzo[c]fluoren-5-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine
PubChem CID140862629
Molecular FormulaC84H56N2O2
Molecular Weight1125.38 g/mol
Exact Mass1124.43
IUPAC NameN-[7-[5-(N-dibenzofuran-4-yl-4-phenylanilino)-7-methylbenzo[c]fluoren-7-yl]-7-methylbenzo[c]fluoren-5-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESCC1(C2(C)c3ccccc3-c3c2cc(N(c2ccc(-c4ccccc4)cc2)c2cccc4c2oc2ccccc24)c2ccccc32)c2ccccc2-c2c1cc(N(c1ccc(-c3ccccc3)cc1)c1cccc3c1oc1ccccc13)c1ccccc21
InChIInChI=1S/C84H56N2O2/c1-83(69-37-17-13-33-67(69)79-63-31-11-9-27-59(63)75(51-71(79)83)85(57-47-43-55(44-48-57)53-23-5-3-6-24-53)73-39-21-35-65-61-29-15-19-41-77(61)87-81(65)73)84(2)70-38-18-14-34-68(70)80-64-32-12-10-28-60(64)76(52-72(80)84)86(58-49-45-56(46-50-58)54-25-7-4-8-26-54)74-40-22-36-66-62-30-16-20-42-78(62)88-82(66)74/h3-52H,1-2H3
InChIKeyPNOXUCQRCRBYCE-UHFFFAOYSA-N
XLogP23.34
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001125.38
LogP ≤ 523.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[7-[5-(N-dibenzofuran-4-yl-4-phenylanilino)-7-methylbenzo[c]fluoren-7-yl]-7-methylbenzo[c]fluoren-5-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 90277947
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 170137784
N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-5-amine
CID 169285507
N-dibenzofuran-4-yl-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 169021944
N-dibenzofuran-4-yl-N,7-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423986
N-[9,9-dimethyl-5-(2-phenylphenyl)fluoren-2-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 138724001
N-[4-[4-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 71126808
N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 118188576
20-N-[4-[4-[dibenzofuran-4-yl-[20-(N-dibenzofuran-4-ylanilino)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]amino]phenyl]phenyl]-4-N,20-N-bis(9,9-dimethylfluoren-2-yl)-4-N-phenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine
CID 146526881
N-(2-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 135129602
N-(7,7-dimethyl-1-phenanthren-9-ylbenzo[a]phenalen-8-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 167232265
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]naphthalen-1-yl]-N-phenyldibenzofuran-4-amine
CID 71126683

Frequently Asked Questions

What is the IUPAC name of N-[7-[5-(N-dibenzofuran-4-yl-4-phenylanilino)-7-methylbenzo[c]fluoren-7-yl]-7-methylbenzo[c]fluoren-5-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-[7-[5-(N-dibenzofuran-4-yl-4-phenylanilino)-7-methylbenzo[c]fluoren-7-yl]-7-methylbenzo[c]fluoren-5-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine (CID 140862629) is N-[7-[5-(N-dibenzofuran-4-yl-4-phenylanilino)-7-methylbenzo[c]fluoren-7-yl]-7-methylbenzo[c]fluoren-5-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-[7-[5-(N-dibenzofuran-4-yl-4-phenylanilino)-7-methylbenzo[c]fluoren-7-yl]-7-methylbenzo[c]fluoren-5-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-[7-[5-(N-dibenzofuran-4-yl-4-phenylanilino)-7-methylbenzo[c]fluoren-7-yl]-7-methylbenzo[c]fluoren-5-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine is CC1(C2(C)c3ccccc3-c3c2cc(N(c2ccc(-c4ccccc4)cc2)c2cccc4c2oc2ccccc24)c2ccccc32)c2ccccc2-c2c1cc(N(c1ccc(-c3ccccc3)cc1)c1cccc3c1oc1ccccc13)c1ccccc21.
What is the InChIKey of N-[7-[5-(N-dibenzofuran-4-yl-4-phenylanilino)-7-methylbenzo[c]fluoren-7-yl]-7-methylbenzo[c]fluoren-5-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is PNOXUCQRCRBYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H56N2O2/c1-83(69-37-17-13-33-67(69)79-63-31-11-9-27-59(63)75(51-71(79)83)85(57-47-43-55(44-48-57)53-23-5-3-6-24-53)73-39-21-35-65-61-29-15-19-41-77(61)87-81(65)73)84(2)70-38-18-14-34-68(70)80-64-32-12-10-28-60(64)76(52-72(80)84)86(58-49-45-56(46-50-58)54-25-7-4-8-26-54)74-40-22-36-66-62-30-16-20-42-78(62)88-82(66)74/h3-52H,1-2H3.
What are the key properties of N-[7-[5-(N-dibenzofuran-4-yl-4-phenylanilino)-7-methylbenzo[c]fluoren-7-yl]-7-methylbenzo[c]fluoren-5-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
N-[7-[5-(N-dibenzofuran-4-yl-4-phenylanilino)-7-methylbenzo[c]fluoren-7-yl]-7-methylbenzo[c]fluoren-5-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine has a molecular weight of 1125.38 g/mol, XLogP of 23.34, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[5-(N-dibenzofuran-4-yl-4-phenylanilino)-7-methylbenzo[c]fluoren-7-yl]-7-methylbenzo[c]fluoren-5-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 140862629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).