N-(4-carbazol-9-ylphenyl)-N-[4-[7-[9-[4-(4-dibenzofuran-1-yl-N-phenanthren-3-ylanilino)phenyl]carbazol-4-yl]dibenzofuran-1-yl]phenyl]phenanthren-2-amine

C100H62N4O2 — CID 155398221

IUPACN-(4-carbazol-9-ylphenyl)-N-[4-[7-[9-[4-(4-dibenzofuran-1-yl-N-phenanthren-3-ylanilino)phenyl]carbazol-4-yl]dibenzofuran-1-yl]phenyl]phenanthren-2-amine
SMILESc1ccc2c(c1)ccc1cc(N(c3ccc(-c4cccc5oc6cc(-c7cccc8c7c7ccccc7n8-c7ccc(N(c8ccc(-c9cccc%10oc%11ccccc%11c9%10)cc8)c8ccc9ccc%10ccccc%10c9c8)cc7)ccc6c45)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc12
InChIInChI=1S/C100H62N4O2/c1-3-18-78-63(16-1)36-37-68-60-76(57-59-80(68)78)101(72-49-53-74(54-50-72)103-90-27-9-5-20-84(90)85-21-6-10-28-91(85)103)70-44-38-66(39-45-70)82-26-15-33-96-100(82)88-58-43-69(61-97(88)106-96)83-24-13-30-93-98(83)86-22-7-11-29-92(86)104(93)75-55-51-73(52-56-75)102(77-48-42-67-35-34-64-17-2-4-19-79(64)89(67)62-77)71-46-40-65(41-47-71)81-25-14-32-95-99(81)87-23-8-12-31-94(87)105-95/h1-62H
InChIKeyHNWQMSRPKPCGRB-UHFFFAOYSA-N
MW1351.62 g/mol
LogP28.23
Rot. Bonds11

About N-(4-carbazol-9-ylphenyl)-N-[4-[7-[9-[4-(4-dibenzofuran-1-yl-N-phenanthren-3-ylanilino)phenyl]carbazol-4-yl]dibenzofuran-1-yl]phenyl]phenanthren-2-amine

N-(4-carbazol-9-ylphenyl)-N-[4-[7-[9-[4-(4-dibenzofuran-1-yl-N-phenanthren-3-ylanilino)phenyl]carbazol-4-yl]dibenzofuran-1-yl]phenyl]phenanthren-2-amine (PubChem CID 155398221) has the molecular formula C100H62N4O2 and a molecular weight of 1351.62 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-[4-[7-[9-[4-(4-dibenzofuran-1-yl-N-phenanthren-3-ylanilino)phenyl]carbazol-4-yl]dibenzofuran-1-yl]phenyl]phenanthren-2-amine.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-N-[4-[7-[9-[4-(4-dibenzofuran-1-yl-N-phenanthren-3-ylanilino)phenyl]carbazol-4-yl]dibenzofuran-1-yl]phenyl]phenanthren-2-amine
PubChem CID155398221
Molecular FormulaC100H62N4O2
Molecular Weight1351.62 g/mol
Exact Mass1350.49
IUPAC NameN-(4-carbazol-9-ylphenyl)-N-[4-[7-[9-[4-(4-dibenzofuran-1-yl-N-phenanthren-3-ylanilino)phenyl]carbazol-4-yl]dibenzofuran-1-yl]phenyl]phenanthren-2-amine
SMILESc1ccc2c(c1)ccc1cc(N(c3ccc(-c4cccc5oc6cc(-c7cccc8c7c7ccccc7n8-c7ccc(N(c8ccc(-c9cccc%10oc%11ccccc%11c9%10)cc8)c8ccc9ccc%10ccccc%10c9c8)cc7)ccc6c45)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc12
InChIInChI=1S/C100H62N4O2/c1-3-18-78-63(16-1)36-37-68-60-76(57-59-80(68)78)101(72-49-53-74(54-50-72)103-90-27-9-5-20-84(90)85-21-6-10-28-91(85)103)70-44-38-66(39-45-70)82-26-15-33-96-100(82)88-58-43-69(61-97(88)106-96)83-24-13-30-93-98(83)86-22-7-11-29-92(86)104(93)75-55-51-73(52-56-75)102(77-48-42-67-35-34-64-17-2-4-19-79(64)89(67)62-77)71-46-40-65(41-47-71)81-25-14-32-95-99(81)87-23-8-12-31-94(87)105-95/h1-62H
InChIKeyHNWQMSRPKPCGRB-UHFFFAOYSA-N
XLogP28.23
TPSA42.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001351.62
LogP ≤ 528.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-1-ylphenyl)phenanthren-2-amine
CID 155397942
N-[4-(4-carbazol-9-ylphenyl)phenyl]-7-dibenzofuran-1-yl-N-(3-phenylphenyl)phenanthren-2-amine
CID 155398335
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)phenanthren-2-amine
CID 155398702
3-[7-[10-[3-[4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)anilino]phenyl]phenanthren-2-yl]dibenzofuran-1-yl]-N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)aniline
CID 155398070
N-(4-dibenzofuran-1-ylphenyl)-7-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]carbazol-3-amine
CID 169285156
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-3-naphthalen-1-ylaniline
CID 155398157
N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]naphthalen-2-amine
CID 155649331
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-1-ylphenyl)phenanthren-3-amine
CID 155398716
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)phenanthren-2-amine
CID 153314772
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-3-ylphenyl)phenanthren-3-amine
CID 153314948
4-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 155397994
N-(3-carbazol-9-ylphenyl)-3-dibenzofuran-1-yl-N-(4-phenanthren-2-ylphenyl)aniline
CID 155649180

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N-[4-[7-[9-[4-(4-dibenzofuran-1-yl-N-phenanthren-3-ylanilino)phenyl]carbazol-4-yl]dibenzofuran-1-yl]phenyl]phenanthren-2-amine?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-[4-[7-[9-[4-(4-dibenzofuran-1-yl-N-phenanthren-3-ylanilino)phenyl]carbazol-4-yl]dibenzofuran-1-yl]phenyl]phenanthren-2-amine (CID 155398221) is N-(4-carbazol-9-ylphenyl)-N-[4-[7-[9-[4-(4-dibenzofuran-1-yl-N-phenanthren-3-ylanilino)phenyl]carbazol-4-yl]dibenzofuran-1-yl]phenyl]phenanthren-2-amine.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-[4-[7-[9-[4-(4-dibenzofuran-1-yl-N-phenanthren-3-ylanilino)phenyl]carbazol-4-yl]dibenzofuran-1-yl]phenyl]phenanthren-2-amine?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-[4-[7-[9-[4-(4-dibenzofuran-1-yl-N-phenanthren-3-ylanilino)phenyl]carbazol-4-yl]dibenzofuran-1-yl]phenyl]phenanthren-2-amine is c1ccc2c(c1)ccc1cc(N(c3ccc(-c4cccc5oc6cc(-c7cccc8c7c7ccccc7n8-c7ccc(N(c8ccc(-c9cccc%10oc%11ccccc%11c9%10)cc8)c8ccc9ccc%10ccccc%10c9c8)cc7)ccc6c45)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc12.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-[4-[7-[9-[4-(4-dibenzofuran-1-yl-N-phenanthren-3-ylanilino)phenyl]carbazol-4-yl]dibenzofuran-1-yl]phenyl]phenanthren-2-amine?
The InChIKey is HNWQMSRPKPCGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H62N4O2/c1-3-18-78-63(16-1)36-37-68-60-76(57-59-80(68)78)101(72-49-53-74(54-50-72)103-90-27-9-5-20-84(90)85-21-6-10-28-91(85)103)70-44-38-66(39-45-70)82-26-15-33-96-100(82)88-58-43-69(61-97(88)106-96)83-24-13-30-93-98(83)86-22-7-11-29-92(86)104(93)75-55-51-73(52-56-75)102(77-48-42-67-35-34-64-17-2-4-19-79(64)89(67)62-77)71-46-40-65(41-47-71)81-25-14-32-95-99(81)87-23-8-12-31-94(87)105-95/h1-62H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-N-[4-[7-[9-[4-(4-dibenzofuran-1-yl-N-phenanthren-3-ylanilino)phenyl]carbazol-4-yl]dibenzofuran-1-yl]phenyl]phenanthren-2-amine?
N-(4-carbazol-9-ylphenyl)-N-[4-[7-[9-[4-(4-dibenzofuran-1-yl-N-phenanthren-3-ylanilino)phenyl]carbazol-4-yl]dibenzofuran-1-yl]phenyl]phenanthren-2-amine has a molecular weight of 1351.62 g/mol, XLogP of 28.23, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-N-[4-[7-[9-[4-(4-dibenzofuran-1-yl-N-phenanthren-3-ylanilino)phenyl]carbazol-4-yl]dibenzofuran-1-yl]phenyl]phenanthren-2-amine is sourced from PubChem (CID 155398221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).