N-[4-[3-[6-(N-(7,7-diphenylbenzo[g]fluoren-9-yl)anilino)dibenzofuran-4-yl]-3-methylbutyl]-7,7-diphenylbenzo[g]fluoren-9-yl]-N-phenyl-6-propan-2-yldibenzofuran-4-amine

C102H76N2O2 — CID 130369418

IUPACN-[4-[3-[6-(N-(7,7-diphenylbenzo[g]fluoren-9-yl)anilino)dibenzofuran-4-yl]-3-methylbutyl]-7,7-diphenylbenzo[g]fluoren-9-yl]-N-phenyl-6-propan-2-yldibenzofuran-4-amine
SMILESCC(C)c1cccc2c1oc1c(N(c3ccccc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccc5c(CCC(C)(C)c6cccc7c6oc6c(N(c8ccccc8)c8ccc9c(c8)C(c8ccccc8)(c8ccccc8)c8ccc%10ccccc%10c8-9)cccc67)cccc5c3-4)cccc12
InChIInChI=1S/C102H76N2O2/c1-66(2)77-45-26-47-81-83-49-28-52-92(98(83)105-96(77)81)103(73-40-19-9-20-41-73)76-56-58-86-91(65-76)102(71-36-15-7-16-37-71,72-38-17-8-18-39-72)88-61-59-78-68(31-25-46-80(78)95(86)88)62-63-100(3,4)89-51-27-48-82-84-50-29-53-93(99(84)106-97(82)89)104(74-42-21-10-22-43-74)75-55-57-85-90(64-75)101(69-32-11-5-12-33-69,70-34-13-6-14-35-70)87-60-54-67-30-23-24-44-79(67)94(85)87/h5-61,64-66H,62-63H2,1-4H3
InChIKeyLFRRAZOEFPIQCX-UHFFFAOYSA-N
MW1361.74 g/mol
LogP27.49
Rot. Bonds15

About N-[4-[3-[6-(N-(7,7-diphenylbenzo[g]fluoren-9-yl)anilino)dibenzofuran-4-yl]-3-methylbutyl]-7,7-diphenylbenzo[g]fluoren-9-yl]-N-phenyl-6-propan-2-yldibenzofuran-4-amine

N-[4-[3-[6-(N-(7,7-diphenylbenzo[g]fluoren-9-yl)anilino)dibenzofuran-4-yl]-3-methylbutyl]-7,7-diphenylbenzo[g]fluoren-9-yl]-N-phenyl-6-propan-2-yldibenzofuran-4-amine (PubChem CID 130369418) has the molecular formula C102H76N2O2 and a molecular weight of 1361.74 g/mol. Its IUPAC name is N-[4-[3-[6-(N-(7,7-diphenylbenzo[g]fluoren-9-yl)anilino)dibenzofuran-4-yl]-3-methylbutyl]-7,7-diphenylbenzo[g]fluoren-9-yl]-N-phenyl-6-propan-2-yldibenzofuran-4-amine.

Molecular Properties

Compound NameN-[4-[3-[6-(N-(7,7-diphenylbenzo[g]fluoren-9-yl)anilino)dibenzofuran-4-yl]-3-methylbutyl]-7,7-diphenylbenzo[g]fluoren-9-yl]-N-phenyl-6-propan-2-yldibenzofuran-4-amine
PubChem CID130369418
Molecular FormulaC102H76N2O2
Molecular Weight1361.74 g/mol
Exact Mass1360.59
IUPAC NameN-[4-[3-[6-(N-(7,7-diphenylbenzo[g]fluoren-9-yl)anilino)dibenzofuran-4-yl]-3-methylbutyl]-7,7-diphenylbenzo[g]fluoren-9-yl]-N-phenyl-6-propan-2-yldibenzofuran-4-amine
SMILESCC(C)c1cccc2c1oc1c(N(c3ccccc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccc5c(CCC(C)(C)c6cccc7c6oc6c(N(c8ccccc8)c8ccc9c(c8)C(c8ccccc8)(c8ccccc8)c8ccc%10ccccc%10c8-9)cccc67)cccc5c3-4)cccc12
InChIInChI=1S/C102H76N2O2/c1-66(2)77-45-26-47-81-83-49-28-52-92(98(83)105-96(77)81)103(73-40-19-9-20-41-73)76-56-58-86-91(65-76)102(71-36-15-7-16-37-71,72-38-17-8-18-39-72)88-61-59-78-68(31-25-46-80(78)95(86)88)62-63-100(3,4)89-51-27-48-82-84-50-29-53-93(99(84)106-97(82)89)104(74-42-21-10-22-43-74)75-55-57-85-90(64-75)101(69-32-11-5-12-33-69,70-34-13-6-14-35-70)87-60-54-67-30-23-24-44-79(67)94(85)87/h5-61,64-66H,62-63H2,1-4H3
InChIKeyLFRRAZOEFPIQCX-UHFFFAOYSA-N
XLogP27.49
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001361.74
LogP ≤ 527.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-[3-[6-(N-(7,7-diphenylbenzo[g]fluoren-9-yl)anilino)dibenzofuran-4-yl]-3-methylbutyl]-7,7-diphenylbenzo[g]fluoren-9-yl]-N-phenyl-6-propan-2-yldibenzofuran-4-amine with MolForge

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Related Compounds

6-cyclopentyl-N-(7,7-diphenylbenzo[g]fluoren-9-yl)-N-phenyldibenzofuran-4-amine
CID 90140016
7,7-dimethyl-5-N,9-N-bis(naphtho[1,2-b][1]benzofuran-10-yl)-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine
CID 126550503
N-(9,9-diphenylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 177121378
7,7-diphenyl-N,N-bis(4-phenylphenyl)benzo[c]fluoren-4-amine;N-(9,9-diphenylfluoren-2-yl)-N,7,7-triphenylbenzo[c]fluoren-11-amine;N,N,7,7-tetraphenylbenzo[c]fluoren-4-amine;N,7,7-triphenyl-N-(4-phenylphenyl)benzo[c]fluoren-4-amine
CID 160577595
5-N,9-N-bis(3-methylphenyl)-5-N,9-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine
CID 126550480
5-N,9-N-bis(4-tert-butylphenyl)-7,7-diphenyl-5-N,9-N-bis(6-phenyldibenzofuran-4-yl)benzo[c]fluorene-5,9-diamine
CID 90139898
18,18,21,21-tetramethyl-15-N,24-N-diphenyl-15-N,24-N-bis(6-propan-2-yldibenzofuran-4-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene-15,24-diamine
CID 155761176
7-N',17-N'-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-7-N',17-N'-diphenylspiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7',17'-diamine
CID 137493502
5-N,20-N-bis(6-ethyldibenzofuran-4-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;5-N,20-N-bis(6-methyldibenzofuran-4-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;5-N,20-N-di(dibenzothiophen-4-yl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine;5-N,20-N,25,25-tetraphenyl-5-N,20-N-bis(6-propan-2-yldibenzofuran-4-yl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine
CID 157158852
N,N-bis(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-4-amine
CID 149287713
5-N,9-N-bis(6-cyclopentyldibenzofuran-4-yl)-7,7-diphenyl-5-N,9-N-bis(4-propan-2-ylphenyl)benzo[c]fluorene-5,9-diamine
CID 90139959
N-dibenzofuran-2-yl-7,7-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine;N-dibenzofuran-4-yl-7,7-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine;7,7-dimethyl-N-phenanthren-2-yl-N-phenylfluoreno[5,6-b][1]benzofuran-9-amine;N-(4-naphthalen-2-ylphenyl)-N,7,7-triphenylfluoreno[5,6-b][1]benzofuran-9-amine
CID 165102983

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[6-(N-(7,7-diphenylbenzo[g]fluoren-9-yl)anilino)dibenzofuran-4-yl]-3-methylbutyl]-7,7-diphenylbenzo[g]fluoren-9-yl]-N-phenyl-6-propan-2-yldibenzofuran-4-amine?
The IUPAC name of N-[4-[3-[6-(N-(7,7-diphenylbenzo[g]fluoren-9-yl)anilino)dibenzofuran-4-yl]-3-methylbutyl]-7,7-diphenylbenzo[g]fluoren-9-yl]-N-phenyl-6-propan-2-yldibenzofuran-4-amine (CID 130369418) is N-[4-[3-[6-(N-(7,7-diphenylbenzo[g]fluoren-9-yl)anilino)dibenzofuran-4-yl]-3-methylbutyl]-7,7-diphenylbenzo[g]fluoren-9-yl]-N-phenyl-6-propan-2-yldibenzofuran-4-amine.
What is the SMILES notation for N-[4-[3-[6-(N-(7,7-diphenylbenzo[g]fluoren-9-yl)anilino)dibenzofuran-4-yl]-3-methylbutyl]-7,7-diphenylbenzo[g]fluoren-9-yl]-N-phenyl-6-propan-2-yldibenzofuran-4-amine?
The canonical SMILES for N-[4-[3-[6-(N-(7,7-diphenylbenzo[g]fluoren-9-yl)anilino)dibenzofuran-4-yl]-3-methylbutyl]-7,7-diphenylbenzo[g]fluoren-9-yl]-N-phenyl-6-propan-2-yldibenzofuran-4-amine is CC(C)c1cccc2c1oc1c(N(c3ccccc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccc5c(CCC(C)(C)c6cccc7c6oc6c(N(c8ccccc8)c8ccc9c(c8)C(c8ccccc8)(c8ccccc8)c8ccc%10ccccc%10c8-9)cccc67)cccc5c3-4)cccc12.
What is the InChIKey of N-[4-[3-[6-(N-(7,7-diphenylbenzo[g]fluoren-9-yl)anilino)dibenzofuran-4-yl]-3-methylbutyl]-7,7-diphenylbenzo[g]fluoren-9-yl]-N-phenyl-6-propan-2-yldibenzofuran-4-amine?
The InChIKey is LFRRAZOEFPIQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H76N2O2/c1-66(2)77-45-26-47-81-83-49-28-52-92(98(83)105-96(77)81)103(73-40-19-9-20-41-73)76-56-58-86-91(65-76)102(71-36-15-7-16-37-71,72-38-17-8-18-39-72)88-61-59-78-68(31-25-46-80(78)95(86)88)62-63-100(3,4)89-51-27-48-82-84-50-29-53-93(99(84)106-97(82)89)104(74-42-21-10-22-43-74)75-55-57-85-90(64-75)101(69-32-11-5-12-33-69,70-34-13-6-14-35-70)87-60-54-67-30-23-24-44-79(67)94(85)87/h5-61,64-66H,62-63H2,1-4H3.
What are the key properties of N-[4-[3-[6-(N-(7,7-diphenylbenzo[g]fluoren-9-yl)anilino)dibenzofuran-4-yl]-3-methylbutyl]-7,7-diphenylbenzo[g]fluoren-9-yl]-N-phenyl-6-propan-2-yldibenzofuran-4-amine?
N-[4-[3-[6-(N-(7,7-diphenylbenzo[g]fluoren-9-yl)anilino)dibenzofuran-4-yl]-3-methylbutyl]-7,7-diphenylbenzo[g]fluoren-9-yl]-N-phenyl-6-propan-2-yldibenzofuran-4-amine has a molecular weight of 1361.74 g/mol, XLogP of 27.49, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[6-(N-(7,7-diphenylbenzo[g]fluoren-9-yl)anilino)dibenzofuran-4-yl]-3-methylbutyl]-7,7-diphenylbenzo[g]fluoren-9-yl]-N-phenyl-6-propan-2-yldibenzofuran-4-amine is sourced from PubChem (CID 130369418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).