N-dibenzofuran-3-yl-7-[4-[6-[4-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenanthro[9,10-d][1,3]thiazol-2-yl]phenyl]-N-[4-(2-phenylphenanthro[10,9-d][1,3]thiazol-6-yl)phenyl]dibenzofuran-3-amine

C102H60N4O3S2 — CID 163891092

IUPACN-dibenzofuran-3-yl-7-[4-[6-[4-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenanthro[9,10-d][1,3]thiazol-2-yl]phenyl]-N-[4-(2-phenylphenanthro[10,9-d][1,3]thiazol-6-yl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4c4sc(-c6ccc(-c7ccc8c(c7)oc7cc(N(c9ccc(-c%10ccc%11c(c%10)c%10ccccc%10c%10sc(-c%12ccccc%12)nc%11%10)cc9)c9ccc%10c(c9)oc9ccccc9%10)ccc78)cc6)nc54)cc3)c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C102H60N4O3S2/c1-3-15-61(16-4-1)62-31-40-71(41-32-62)105(74-46-52-82-79-21-11-13-25-91(79)107-94(82)58-74)72-42-33-64(34-43-72)68-39-51-86-90(55-68)78-20-8-10-24-88(78)100-98(86)104-102(111-100)67-29-27-63(28-30-67)70-37-49-81-84-54-48-76(60-96(84)109-93(81)57-70)106(75-47-53-83-80-22-12-14-26-92(80)108-95(83)59-75)73-44-35-65(36-45-73)69-38-50-85-89(56-69)77-19-7-9-23-87(77)99-97(85)103-101(110-99)66-17-5-2-6-18-66/h1-60H
InChIKeyQBPRGNFKVOAZCZ-UHFFFAOYSA-N
MW1453.76 g/mol
LogP30.16
Rot. Bonds12

About N-dibenzofuran-3-yl-7-[4-[6-[4-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenanthro[9,10-d][1,3]thiazol-2-yl]phenyl]-N-[4-(2-phenylphenanthro[10,9-d][1,3]thiazol-6-yl)phenyl]dibenzofuran-3-amine

N-dibenzofuran-3-yl-7-[4-[6-[4-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenanthro[9,10-d][1,3]thiazol-2-yl]phenyl]-N-[4-(2-phenylphenanthro[10,9-d][1,3]thiazol-6-yl)phenyl]dibenzofuran-3-amine (PubChem CID 163891092) has the molecular formula C102H60N4O3S2 and a molecular weight of 1453.76 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-7-[4-[6-[4-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenanthro[9,10-d][1,3]thiazol-2-yl]phenyl]-N-[4-(2-phenylphenanthro[10,9-d][1,3]thiazol-6-yl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-7-[4-[6-[4-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenanthro[9,10-d][1,3]thiazol-2-yl]phenyl]-N-[4-(2-phenylphenanthro[10,9-d][1,3]thiazol-6-yl)phenyl]dibenzofuran-3-amine
PubChem CID163891092
Molecular FormulaC102H60N4O3S2
Molecular Weight1453.76 g/mol
Exact Mass1452.41
IUPAC NameN-dibenzofuran-3-yl-7-[4-[6-[4-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenanthro[9,10-d][1,3]thiazol-2-yl]phenyl]-N-[4-(2-phenylphenanthro[10,9-d][1,3]thiazol-6-yl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4c4sc(-c6ccc(-c7ccc8c(c7)oc7cc(N(c9ccc(-c%10ccc%11c(c%10)c%10ccccc%10c%10sc(-c%12ccccc%12)nc%11%10)cc9)c9ccc%10c(c9)oc9ccccc9%10)ccc78)cc6)nc54)cc3)c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C102H60N4O3S2/c1-3-15-61(16-4-1)62-31-40-71(41-32-62)105(74-46-52-82-79-21-11-13-25-91(79)107-94(82)58-74)72-42-33-64(34-43-72)68-39-51-86-90(55-68)78-20-8-10-24-88(78)100-98(86)104-102(111-100)67-29-27-63(28-30-67)70-37-49-81-84-54-48-76(60-96(84)109-93(81)57-70)106(75-47-53-83-80-22-12-14-26-92(80)108-95(83)59-75)73-44-35-65(36-45-73)69-38-50-85-89(56-69)77-19-7-9-23-87(77)99-97(85)103-101(110-99)66-17-5-2-6-18-66/h1-60H
InChIKeyQBPRGNFKVOAZCZ-UHFFFAOYSA-N
XLogP30.16
TPSA71.68 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms111
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001453.76
LogP ≤ 530.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-dibenzofuran-3-yl-7-[4-[6-[4-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenanthro[9,10-d][1,3]thiazol-2-yl]phenyl]-N-[4-(2-phenylphenanthro[10,9-d][1,3]thiazol-6-yl)phenyl]dibenzofuran-3-amine with MolForge

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Related Compounds

N-phenyl-N-[4-(6-phenylphenanthro[9,10-d][1,3]thiazol-2-yl)phenyl]dibenzofuran-2-amine
CID 171747668
2-[3-(N-dibenzofuran-2-ylanilino)phenyl]-N-phenyl-N-(4-phenylphenyl)phenanthro[10,9-d][1,3]thiazol-6-amine
CID 171747492
3-[2-dibenzofuran-2-yl-9-[3-(N-phenylanilino)phenyl]phenanthro[10,9-d][1,3]thiazol-6-yl]-N,N-diphenylaniline
CID 171747596
7-dibenzofuran-3-yl-N,N-bis[4-(4-phenylphenyl)phenyl]triphenylen-2-amine
CID 88567948
N-[4-(4,5,6,7,8,9,10,11-octadeuteriophenanthro[9,10-d][1,3]thiazol-2-yl)phenyl]-N-phenyldibenzofuran-3-amine
CID 171747591
N,N-di(dibenzofuran-3-yl)-2-phenylnaphtho[1,2-g][1,3]benzothiazol-11-amine
CID 174294595
N-phenyl-N-(4-phenylphenyl)-2-[3-(N-(4-phenylphenyl)anilino)phenyl]phenanthro[10,9-d][1,3]thiazol-6-amine
CID 171747548
4-[4,7-bis(4-dibenzofuran-2-ylphenyl)-1,3-benzothiazol-2-yl]-N,N-diphenylaniline
CID 121425802
N,N-diphenyl-2-[3-(N-phenylanilino)phenyl]phenanthro[10,9-d][1,3]thiazol-6-amine
CID 171747395
N-(3-phenanthro[9,10-d][1,3]thiazol-2-ylphenyl)-N,3-diphenylaniline
CID 171747612
N-dibenzofuran-3-yl-N-[4-(2,3-diphenylphenanthro[10,9-b]thiophen-9-yl)phenyl]dibenzofuran-3-amine
CID 155105669
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-7-[4-[6-[4-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenanthro[9,10-d][1,3]thiazol-2-yl]phenyl]-N-[4-(2-phenylphenanthro[10,9-d][1,3]thiazol-6-yl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-dibenzofuran-3-yl-7-[4-[6-[4-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenanthro[9,10-d][1,3]thiazol-2-yl]phenyl]-N-[4-(2-phenylphenanthro[10,9-d][1,3]thiazol-6-yl)phenyl]dibenzofuran-3-amine (CID 163891092) is N-dibenzofuran-3-yl-7-[4-[6-[4-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenanthro[9,10-d][1,3]thiazol-2-yl]phenyl]-N-[4-(2-phenylphenanthro[10,9-d][1,3]thiazol-6-yl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-7-[4-[6-[4-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenanthro[9,10-d][1,3]thiazol-2-yl]phenyl]-N-[4-(2-phenylphenanthro[10,9-d][1,3]thiazol-6-yl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-dibenzofuran-3-yl-7-[4-[6-[4-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenanthro[9,10-d][1,3]thiazol-2-yl]phenyl]-N-[4-(2-phenylphenanthro[10,9-d][1,3]thiazol-6-yl)phenyl]dibenzofuran-3-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4c4sc(-c6ccc(-c7ccc8c(c7)oc7cc(N(c9ccc(-c%10ccc%11c(c%10)c%10ccccc%10c%10sc(-c%12ccccc%12)nc%11%10)cc9)c9ccc%10c(c9)oc9ccccc9%10)ccc78)cc6)nc54)cc3)c3ccc4c(c3)oc3ccccc34)cc2)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-7-[4-[6-[4-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenanthro[9,10-d][1,3]thiazol-2-yl]phenyl]-N-[4-(2-phenylphenanthro[10,9-d][1,3]thiazol-6-yl)phenyl]dibenzofuran-3-amine?
The InChIKey is QBPRGNFKVOAZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H60N4O3S2/c1-3-15-61(16-4-1)62-31-40-71(41-32-62)105(74-46-52-82-79-21-11-13-25-91(79)107-94(82)58-74)72-42-33-64(34-43-72)68-39-51-86-90(55-68)78-20-8-10-24-88(78)100-98(86)104-102(111-100)67-29-27-63(28-30-67)70-37-49-81-84-54-48-76(60-96(84)109-93(81)57-70)106(75-47-53-83-80-22-12-14-26-92(80)108-95(83)59-75)73-44-35-65(36-45-73)69-38-50-85-89(56-69)77-19-7-9-23-87(77)99-97(85)103-101(110-99)66-17-5-2-6-18-66/h1-60H.
What are the key properties of N-dibenzofuran-3-yl-7-[4-[6-[4-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenanthro[9,10-d][1,3]thiazol-2-yl]phenyl]-N-[4-(2-phenylphenanthro[10,9-d][1,3]thiazol-6-yl)phenyl]dibenzofuran-3-amine?
N-dibenzofuran-3-yl-7-[4-[6-[4-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenanthro[9,10-d][1,3]thiazol-2-yl]phenyl]-N-[4-(2-phenylphenanthro[10,9-d][1,3]thiazol-6-yl)phenyl]dibenzofuran-3-amine has a molecular weight of 1453.76 g/mol, XLogP of 30.16, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-7-[4-[6-[4-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenanthro[9,10-d][1,3]thiazol-2-yl]phenyl]-N-[4-(2-phenylphenanthro[10,9-d][1,3]thiazol-6-yl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 163891092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).