N-[4-[4-[10-[3-[N-naphtho[2,3-b][1]benzofuran-3-yl-4-[4-[3-(N-naphtho[2,3-b][1]benzofuran-3-yl-4-phenylanilino)-4-phenanthren-9-ylphenyl]phenyl]anilino]phenyl]phenanthren-2-yl]phenyl]phenyl]-N-(4-phenanthren-9-ylphenyl)naphtho[2,3-b][1]benzofuran-3-amine

C144H89N3O3 — CID 170117885

IUPACN-[4-[4-[10-[3-[N-naphtho[2,3-b][1]benzofuran-3-yl-4-[4-[3-(N-naphtho[2,3-b][1]benzofuran-3-yl-4-phenylanilino)-4-phenanthren-9-ylphenyl]phenyl]anilino]phenyl]phenanthren-2-yl]phenyl]phenyl]-N-(4-phenanthren-9-ylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)oc3cc5ccccc5cc34)c3cc(-c4ccc(-c5ccc(N(c6cccc(-c7cc8ccccc8c8ccc(-c9ccc(-c%10ccc(N(c%11ccc(-c%12cc%13ccccc%13c%13ccccc%12%13)cc%11)c%11ccc%12c(c%11)oc%11cc%13ccccc%13cc%11%12)cc%10)cc9)cc78)c6)c6ccc7c(c6)oc6cc8ccccc8cc67)cc5)cc4)ccc3-c3cc4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C144H89N3O3/c1-2-21-90(22-3-1)93-53-63-114(64-54-93)147(118-69-74-130-137-79-101-25-6-9-28-104(101)86-141(137)150-144(130)89-118)138-83-106(58-71-127(138)133-82-110-31-12-14-35-120(110)123-38-17-19-40-125(123)133)97-47-43-92(44-48-97)95-51-61-113(62-52-95)146(117-68-73-129-136-78-100-24-5-8-27-103(100)85-140(136)149-143(129)88-117)115-33-20-32-107(75-115)132-81-109-30-11-15-36-121(109)126-70-57-105(76-134(126)132)96-45-41-91(42-46-96)94-49-59-111(60-50-94)145(116-67-72-128-135-77-99-23-4-7-26-102(99)84-139(135)148-142(128)87-116)112-65-55-98(56-66-112)131-80-108-29-10-13-34-119(108)122-37-16-18-39-124(122)131/h1-89H
InChIKeyRVHWJHGVGGAOGE-UHFFFAOYSA-N
MW1909.31 g/mol
LogP41.51
Rot. Bonds17

About N-[4-[4-[10-[3-[N-naphtho[2,3-b][1]benzofuran-3-yl-4-[4-[3-(N-naphtho[2,3-b][1]benzofuran-3-yl-4-phenylanilino)-4-phenanthren-9-ylphenyl]phenyl]anilino]phenyl]phenanthren-2-yl]phenyl]phenyl]-N-(4-phenanthren-9-ylphenyl)naphtho[2,3-b][1]benzofuran-3-amine

N-[4-[4-[10-[3-[N-naphtho[2,3-b][1]benzofuran-3-yl-4-[4-[3-(N-naphtho[2,3-b][1]benzofuran-3-yl-4-phenylanilino)-4-phenanthren-9-ylphenyl]phenyl]anilino]phenyl]phenanthren-2-yl]phenyl]phenyl]-N-(4-phenanthren-9-ylphenyl)naphtho[2,3-b][1]benzofuran-3-amine (PubChem CID 170117885) has the molecular formula C144H89N3O3 and a molecular weight of 1909.31 g/mol. Its IUPAC name is N-[4-[4-[10-[3-[N-naphtho[2,3-b][1]benzofuran-3-yl-4-[4-[3-(N-naphtho[2,3-b][1]benzofuran-3-yl-4-phenylanilino)-4-phenanthren-9-ylphenyl]phenyl]anilino]phenyl]phenanthren-2-yl]phenyl]phenyl]-N-(4-phenanthren-9-ylphenyl)naphtho[2,3-b][1]benzofuran-3-amine.

Molecular Properties

Compound NameN-[4-[4-[10-[3-[N-naphtho[2,3-b][1]benzofuran-3-yl-4-[4-[3-(N-naphtho[2,3-b][1]benzofuran-3-yl-4-phenylanilino)-4-phenanthren-9-ylphenyl]phenyl]anilino]phenyl]phenanthren-2-yl]phenyl]phenyl]-N-(4-phenanthren-9-ylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
PubChem CID170117885
Molecular FormulaC144H89N3O3
Molecular Weight1909.31 g/mol
Exact Mass1907.69
IUPAC NameN-[4-[4-[10-[3-[N-naphtho[2,3-b][1]benzofuran-3-yl-4-[4-[3-(N-naphtho[2,3-b][1]benzofuran-3-yl-4-phenylanilino)-4-phenanthren-9-ylphenyl]phenyl]anilino]phenyl]phenanthren-2-yl]phenyl]phenyl]-N-(4-phenanthren-9-ylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)oc3cc5ccccc5cc34)c3cc(-c4ccc(-c5ccc(N(c6cccc(-c7cc8ccccc8c8ccc(-c9ccc(-c%10ccc(N(c%11ccc(-c%12cc%13ccccc%13c%13ccccc%12%13)cc%11)c%11ccc%12c(c%11)oc%11cc%13ccccc%13cc%11%12)cc%10)cc9)cc78)c6)c6ccc7c(c6)oc6cc8ccccc8cc67)cc5)cc4)ccc3-c3cc4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C144H89N3O3/c1-2-21-90(22-3-1)93-53-63-114(64-54-93)147(118-69-74-130-137-79-101-25-6-9-28-104(101)86-141(137)150-144(130)89-118)138-83-106(58-71-127(138)133-82-110-31-12-14-35-120(110)123-38-17-19-40-125(123)133)97-47-43-92(44-48-97)95-51-61-113(62-52-95)146(117-68-73-129-136-78-100-24-5-8-27-103(100)85-140(136)149-143(129)88-117)115-33-20-32-107(75-115)132-81-109-30-11-15-36-121(109)126-70-57-105(76-134(126)132)96-45-41-91(42-46-96)94-49-59-111(60-50-94)145(116-67-72-128-135-77-99-23-4-7-26-102(99)84-139(135)148-142(128)87-116)112-65-55-98(56-66-112)131-80-108-29-10-13-34-119(108)122-37-16-18-39-124(122)131/h1-89H
InChIKeyRVHWJHGVGGAOGE-UHFFFAOYSA-N
XLogP41.51
TPSA49.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms150
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001909.31
LogP ≤ 541.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[4-[4-[10-[3-[N-naphtho[2,3-b][1]benzofuran-3-yl-4-[4-[3-(N-naphtho[2,3-b][1]benzofuran-3-yl-4-phenylanilino)-4-phenanthren-9-ylphenyl]phenyl]anilino]phenyl]phenanthren-2-yl]phenyl]phenyl]-N-(4-phenanthren-9-ylphenyl)naphtho[2,3-b][1]benzofuran-3-amine with MolForge

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Related Compounds

N-(5-phenanthren-9-yl-2-phenylphenyl)-N-phenyldibenzofuran-3-amine
CID 167235145
N-(3-dibenzofuran-2-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzofuran-2-amine
CID 167236593
N-(3-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 156577441
N-(3,4-diphenylphenyl)-N-(6-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169007692
N-[3-[2-(N-(3-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 167086371
N-(4-phenanthren-9-ylphenyl)-5-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 167143588
N-(4-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 163411525
N-(4-naphthalen-2-ylphenyl)-N-(5-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169007176
N-(4-phenanthren-9-yl-2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 154950525
N-(3-naphthalen-1-yl-4-phenylphenyl)-N-(4-phenanthren-9-ylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169007230
N-(3-dibenzofuran-4-ylphenyl)-5-phenanthren-9-yl-2-phenyl-N-(4-phenylphenyl)aniline
CID 167234646
N-(4-dibenzofuran-2-ylphenyl)-5-phenanthren-1-yl-2-phenyl-N-(4-phenylphenyl)aniline
CID 167235297

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[10-[3-[N-naphtho[2,3-b][1]benzofuran-3-yl-4-[4-[3-(N-naphtho[2,3-b][1]benzofuran-3-yl-4-phenylanilino)-4-phenanthren-9-ylphenyl]phenyl]anilino]phenyl]phenanthren-2-yl]phenyl]phenyl]-N-(4-phenanthren-9-ylphenyl)naphtho[2,3-b][1]benzofuran-3-amine?
The IUPAC name of N-[4-[4-[10-[3-[N-naphtho[2,3-b][1]benzofuran-3-yl-4-[4-[3-(N-naphtho[2,3-b][1]benzofuran-3-yl-4-phenylanilino)-4-phenanthren-9-ylphenyl]phenyl]anilino]phenyl]phenanthren-2-yl]phenyl]phenyl]-N-(4-phenanthren-9-ylphenyl)naphtho[2,3-b][1]benzofuran-3-amine (CID 170117885) is N-[4-[4-[10-[3-[N-naphtho[2,3-b][1]benzofuran-3-yl-4-[4-[3-(N-naphtho[2,3-b][1]benzofuran-3-yl-4-phenylanilino)-4-phenanthren-9-ylphenyl]phenyl]anilino]phenyl]phenanthren-2-yl]phenyl]phenyl]-N-(4-phenanthren-9-ylphenyl)naphtho[2,3-b][1]benzofuran-3-amine.
What is the SMILES notation for N-[4-[4-[10-[3-[N-naphtho[2,3-b][1]benzofuran-3-yl-4-[4-[3-(N-naphtho[2,3-b][1]benzofuran-3-yl-4-phenylanilino)-4-phenanthren-9-ylphenyl]phenyl]anilino]phenyl]phenanthren-2-yl]phenyl]phenyl]-N-(4-phenanthren-9-ylphenyl)naphtho[2,3-b][1]benzofuran-3-amine?
The canonical SMILES for N-[4-[4-[10-[3-[N-naphtho[2,3-b][1]benzofuran-3-yl-4-[4-[3-(N-naphtho[2,3-b][1]benzofuran-3-yl-4-phenylanilino)-4-phenanthren-9-ylphenyl]phenyl]anilino]phenyl]phenanthren-2-yl]phenyl]phenyl]-N-(4-phenanthren-9-ylphenyl)naphtho[2,3-b][1]benzofuran-3-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)oc3cc5ccccc5cc34)c3cc(-c4ccc(-c5ccc(N(c6cccc(-c7cc8ccccc8c8ccc(-c9ccc(-c%10ccc(N(c%11ccc(-c%12cc%13ccccc%13c%13ccccc%12%13)cc%11)c%11ccc%12c(c%11)oc%11cc%13ccccc%13cc%11%12)cc%10)cc9)cc78)c6)c6ccc7c(c6)oc6cc8ccccc8cc67)cc5)cc4)ccc3-c3cc4ccccc4c4ccccc34)cc2)cc1.
What is the InChIKey of N-[4-[4-[10-[3-[N-naphtho[2,3-b][1]benzofuran-3-yl-4-[4-[3-(N-naphtho[2,3-b][1]benzofuran-3-yl-4-phenylanilino)-4-phenanthren-9-ylphenyl]phenyl]anilino]phenyl]phenanthren-2-yl]phenyl]phenyl]-N-(4-phenanthren-9-ylphenyl)naphtho[2,3-b][1]benzofuran-3-amine?
The InChIKey is RVHWJHGVGGAOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C144H89N3O3/c1-2-21-90(22-3-1)93-53-63-114(64-54-93)147(118-69-74-130-137-79-101-25-6-9-28-104(101)86-141(137)150-144(130)89-118)138-83-106(58-71-127(138)133-82-110-31-12-14-35-120(110)123-38-17-19-40-125(123)133)97-47-43-92(44-48-97)95-51-61-113(62-52-95)146(117-68-73-129-136-78-100-24-5-8-27-103(100)85-140(136)149-143(129)88-117)115-33-20-32-107(75-115)132-81-109-30-11-15-36-121(109)126-70-57-105(76-134(126)132)96-45-41-91(42-46-96)94-49-59-111(60-50-94)145(116-67-72-128-135-77-99-23-4-7-26-102(99)84-139(135)148-142(128)87-116)112-65-55-98(56-66-112)131-80-108-29-10-13-34-119(108)122-37-16-18-39-124(122)131/h1-89H.
What are the key properties of N-[4-[4-[10-[3-[N-naphtho[2,3-b][1]benzofuran-3-yl-4-[4-[3-(N-naphtho[2,3-b][1]benzofuran-3-yl-4-phenylanilino)-4-phenanthren-9-ylphenyl]phenyl]anilino]phenyl]phenanthren-2-yl]phenyl]phenyl]-N-(4-phenanthren-9-ylphenyl)naphtho[2,3-b][1]benzofuran-3-amine?
N-[4-[4-[10-[3-[N-naphtho[2,3-b][1]benzofuran-3-yl-4-[4-[3-(N-naphtho[2,3-b][1]benzofuran-3-yl-4-phenylanilino)-4-phenanthren-9-ylphenyl]phenyl]anilino]phenyl]phenanthren-2-yl]phenyl]phenyl]-N-(4-phenanthren-9-ylphenyl)naphtho[2,3-b][1]benzofuran-3-amine has a molecular weight of 1909.31 g/mol, XLogP of 41.51, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[10-[3-[N-naphtho[2,3-b][1]benzofuran-3-yl-4-[4-[3-(N-naphtho[2,3-b][1]benzofuran-3-yl-4-phenylanilino)-4-phenanthren-9-ylphenyl]phenyl]anilino]phenyl]phenanthren-2-yl]phenyl]phenyl]-N-(4-phenanthren-9-ylphenyl)naphtho[2,3-b][1]benzofuran-3-amine is sourced from PubChem (CID 170117885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).