N-(4-dibenzofuran-4-ylphenyl)-4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]-N-[4-(9-phenyl-9H-fluoren-3-yl)phenyl]aniline

C97H63N3O2 — CID 58510731

IUPACN-(4-dibenzofuran-4-ylphenyl)-4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]-N-[4-(9-phenyl-9H-fluoren-3-yl)phenyl]aniline
SMILESc1ccc(C2c3ccccc3-c3cc(-c4ccc(N(c5ccc(-c6ccc(N(c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7)c7ccc(-c8cccc9c8oc8ccccc89)cc7)cc6)cc5)c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4)ccc32)cc1
InChIInChI=1S/C97H63N3O2/c1-3-17-69(18-4-1)95-85-25-8-7-21-81(85)89-61-70(45-59-86(89)95)65-37-51-75(52-38-65)98(77-55-41-67(42-56-77)79-26-15-28-87-83-23-10-13-31-93(83)101-96(79)87)73-47-33-63(34-48-73)64-35-49-74(50-36-64)99(78-57-43-68(44-58-78)80-27-16-29-88-84-24-11-14-32-94(84)102-97(80)88)76-53-39-66(40-54-76)71-46-60-92-90(62-71)82-22-9-12-30-91(82)100(92)72-19-5-2-6-20-72/h1-62,95H
InChIKeyCPVDDBIQXYHFHB-UHFFFAOYSA-N
MW1302.59 g/mol
LogP27.02
Rot. Bonds13

About N-(4-dibenzofuran-4-ylphenyl)-4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]-N-[4-(9-phenyl-9H-fluoren-3-yl)phenyl]aniline

N-(4-dibenzofuran-4-ylphenyl)-4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]-N-[4-(9-phenyl-9H-fluoren-3-yl)phenyl]aniline (PubChem CID 58510731) has the molecular formula C97H63N3O2 and a molecular weight of 1302.59 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]-N-[4-(9-phenyl-9H-fluoren-3-yl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]-N-[4-(9-phenyl-9H-fluoren-3-yl)phenyl]aniline
PubChem CID58510731
Molecular FormulaC97H63N3O2
Molecular Weight1302.59 g/mol
Exact Mass1301.49
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]-N-[4-(9-phenyl-9H-fluoren-3-yl)phenyl]aniline
SMILESc1ccc(C2c3ccccc3-c3cc(-c4ccc(N(c5ccc(-c6ccc(N(c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7)c7ccc(-c8cccc9c8oc8ccccc89)cc7)cc6)cc5)c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4)ccc32)cc1
InChIInChI=1S/C97H63N3O2/c1-3-17-69(18-4-1)95-85-25-8-7-21-81(85)89-61-70(45-59-86(89)95)65-37-51-75(52-38-65)98(77-55-41-67(42-56-77)79-26-15-28-87-83-23-10-13-31-93(83)101-96(79)87)73-47-33-63(34-48-73)64-35-49-74(50-36-64)99(78-57-43-68(44-58-78)80-27-16-29-88-84-24-11-14-32-94(84)102-97(80)88)76-53-39-66(40-54-76)71-46-60-92-90(62-71)82-22-9-12-30-91(82)100(92)72-19-5-2-6-20-72/h1-62,95H
InChIKeyCPVDDBIQXYHFHB-UHFFFAOYSA-N
XLogP27.02
TPSA37.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001302.59
LogP ≤ 527.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[4-[N,4-bis(4-dibenzofuran-4-ylphenyl)anilino]phenyl]phenyl]-N-(4-carbazol-9-ylphenyl)-4-(9H-fluoren-9-yl)aniline;4-N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-N-(4-dibenzofuran-4-ylphenyl)-1-N,1-N-diphenylnaphthalene-1,4-diamine;4-[4-(4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-[4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 160920288
4-[9-(4-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-N,N-diphenylaniline
CID 164786369
N-[4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90207163
1-N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-4-N,4-N-bis[4-(N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]anilino)phenyl]-1-N-phenylbenzene-1,4-diamine
CID 118402476
N-[4-[4-[4-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121443631
N-(4-dibenzofuran-4-ylphenyl)-9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 58510827
N-[4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N,9-diphenylcarbazol-3-amine;4-[4-[N-(4-dibenzofuran-2-ylphenyl)-4-[4-[N-(4-dibenzofuran-2-ylphenyl)-4-[4-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]anilino]phenyl]anilino]phenyl]-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 159314688
N-(4-dibenzofuran-3-ylphenyl)-4-(9-phenylcarbazol-3-yl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168804997
N-[4-[9-(3-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 160835458
3-[3-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 121443658
3-[9-(3-dibenzofuran-2-ylphenyl)-9H-fluoren-3-yl]-9-phenylcarbazole
CID 126753873
4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N,N-diphenylaniline
CID 58510633

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]-N-[4-(9-phenyl-9H-fluoren-3-yl)phenyl]aniline?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]-N-[4-(9-phenyl-9H-fluoren-3-yl)phenyl]aniline (CID 58510731) is N-(4-dibenzofuran-4-ylphenyl)-4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]-N-[4-(9-phenyl-9H-fluoren-3-yl)phenyl]aniline.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]-N-[4-(9-phenyl-9H-fluoren-3-yl)phenyl]aniline?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]-N-[4-(9-phenyl-9H-fluoren-3-yl)phenyl]aniline is c1ccc(C2c3ccccc3-c3cc(-c4ccc(N(c5ccc(-c6ccc(N(c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7)c7ccc(-c8cccc9c8oc8ccccc89)cc7)cc6)cc5)c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4)ccc32)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]-N-[4-(9-phenyl-9H-fluoren-3-yl)phenyl]aniline?
The InChIKey is CPVDDBIQXYHFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C97H63N3O2/c1-3-17-69(18-4-1)95-85-25-8-7-21-81(85)89-61-70(45-59-86(89)95)65-37-51-75(52-38-65)98(77-55-41-67(42-56-77)79-26-15-28-87-83-23-10-13-31-93(83)101-96(79)87)73-47-33-63(34-48-73)64-35-49-74(50-36-64)99(78-57-43-68(44-58-78)80-27-16-29-88-84-24-11-14-32-94(84)102-97(80)88)76-53-39-66(40-54-76)71-46-60-92-90(62-71)82-22-9-12-30-91(82)100(92)72-19-5-2-6-20-72/h1-62,95H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]-N-[4-(9-phenyl-9H-fluoren-3-yl)phenyl]aniline?
N-(4-dibenzofuran-4-ylphenyl)-4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]-N-[4-(9-phenyl-9H-fluoren-3-yl)phenyl]aniline has a molecular weight of 1302.59 g/mol, XLogP of 27.02, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]-N-[4-(9-phenyl-9H-fluoren-3-yl)phenyl]aniline is sourced from PubChem (CID 58510731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).