10-[4-[3-[3-[4-(3,4-diphenylphenyl)-N-[10-[4-[3-[3-[N-[10-(4-phenylphenyl)phenanthren-9-yl]-4-[4-(2-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]phenanthren-9-yl]anilino]phenyl]phenyl]phenyl]-N-phenyl-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine

C168H113N3 — CID 155305411

IUPAC10-[4-[3-[3-[4-(3,4-diphenylphenyl)-N-[10-[4-[3-[3-[N-[10-(4-phenylphenyl)phenanthren-9-yl]-4-[4-(2-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]phenanthren-9-yl]anilino]phenyl]phenyl]phenyl]-N-phenyl-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4c(-c5ccc(-c6cccc(-c7cccc(N(c8ccc(-c9ccc(-c%10ccccc%10)c(-c%10ccccc%10)c9)cc8)c8c(-c9ccc(-c%10cccc(-c%11cccc(N(c%12ccc(-c%13ccc(-c%14ccccc%14-c%14ccccc%14)cc%13)cc%12)c%12c(-c%13ccc(-c%14ccccc%14)cc%13)c%13ccccc%13c%13ccccc%12%13)c%11)c%10)cc9)c9ccccc9c9ccccc89)c7)c6)cc5)c5ccccc5c5ccccc45)cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C168H113N3/c1-8-40-114(41-9-1)116-76-88-128(89-77-116)148-107-105-144(113-162(148)126-50-18-6-19-51-126)169(139-58-20-7-21-59-139)166-158-73-33-27-67-152(158)149-64-24-30-70-155(149)163(166)130-92-82-120(83-93-130)132-52-36-55-135(108-132)137-57-39-61-143(111-137)171(141-103-98-122(99-104-141)138-100-106-147(124-46-14-4-15-47-124)161(112-138)125-48-16-5-17-49-125)168-160-75-35-29-69-154(160)151-66-26-32-72-157(151)165(168)131-94-84-121(85-95-131)133-53-37-54-134(109-133)136-56-38-60-142(110-136)170(140-101-96-119(97-102-140)118-78-86-127(87-79-118)146-63-23-22-62-145(146)123-44-12-3-13-45-123)167-159-74-34-28-68-153(159)150-65-25-31-71-156(150)164(167)129-90-80-117(81-91-129)115-42-10-2-11-43-115/h1-113H
InChIKeyRBYBFRNNWJYJMF-UHFFFAOYSA-N
MW2173.77 g/mol
LogP47.35
Rot. Bonds26

About 10-[4-[3-[3-[4-(3,4-diphenylphenyl)-N-[10-[4-[3-[3-[N-[10-(4-phenylphenyl)phenanthren-9-yl]-4-[4-(2-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]phenanthren-9-yl]anilino]phenyl]phenyl]phenyl]-N-phenyl-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine

10-[4-[3-[3-[4-(3,4-diphenylphenyl)-N-[10-[4-[3-[3-[N-[10-(4-phenylphenyl)phenanthren-9-yl]-4-[4-(2-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]phenanthren-9-yl]anilino]phenyl]phenyl]phenyl]-N-phenyl-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine (PubChem CID 155305411) has the molecular formula C168H113N3 and a molecular weight of 2173.77 g/mol. Its IUPAC name is 10-[4-[3-[3-[4-(3,4-diphenylphenyl)-N-[10-[4-[3-[3-[N-[10-(4-phenylphenyl)phenanthren-9-yl]-4-[4-(2-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]phenanthren-9-yl]anilino]phenyl]phenyl]phenyl]-N-phenyl-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine.

Molecular Properties

Compound Name10-[4-[3-[3-[4-(3,4-diphenylphenyl)-N-[10-[4-[3-[3-[N-[10-(4-phenylphenyl)phenanthren-9-yl]-4-[4-(2-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]phenanthren-9-yl]anilino]phenyl]phenyl]phenyl]-N-phenyl-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine
PubChem CID155305411
Molecular FormulaC168H113N3
Molecular Weight2173.77 g/mol
Exact Mass2171.89
IUPAC Name10-[4-[3-[3-[4-(3,4-diphenylphenyl)-N-[10-[4-[3-[3-[N-[10-(4-phenylphenyl)phenanthren-9-yl]-4-[4-(2-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]phenanthren-9-yl]anilino]phenyl]phenyl]phenyl]-N-phenyl-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4c(-c5ccc(-c6cccc(-c7cccc(N(c8ccc(-c9ccc(-c%10ccccc%10)c(-c%10ccccc%10)c9)cc8)c8c(-c9ccc(-c%10cccc(-c%11cccc(N(c%12ccc(-c%13ccc(-c%14ccccc%14-c%14ccccc%14)cc%13)cc%12)c%12c(-c%13ccc(-c%14ccccc%14)cc%13)c%13ccccc%13c%13ccccc%12%13)c%11)c%10)cc9)c9ccccc9c9ccccc89)c7)c6)cc5)c5ccccc5c5ccccc45)cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C168H113N3/c1-8-40-114(41-9-1)116-76-88-128(89-77-116)148-107-105-144(113-162(148)126-50-18-6-19-51-126)169(139-58-20-7-21-59-139)166-158-73-33-27-67-152(158)149-64-24-30-70-155(149)163(166)130-92-82-120(83-93-130)132-52-36-55-135(108-132)137-57-39-61-143(111-137)171(141-103-98-122(99-104-141)138-100-106-147(124-46-14-4-15-47-124)161(112-138)125-48-16-5-17-49-125)168-160-75-35-29-69-154(160)151-66-26-32-72-157(151)165(168)131-94-84-121(85-95-131)133-53-37-54-134(109-133)136-56-38-60-142(110-136)170(140-101-96-119(97-102-140)118-78-86-127(87-79-118)146-63-23-22-62-145(146)123-44-12-3-13-45-123)167-159-74-34-28-68-153(159)150-65-25-31-71-156(150)164(167)129-90-80-117(81-91-129)115-42-10-2-11-43-115/h1-113H
InChIKeyRBYBFRNNWJYJMF-UHFFFAOYSA-N
XLogP47.35
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds26
Heavy Atoms171
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002173.77
LogP ≤ 547.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 10-[4-[3-[3-[4-(3,4-diphenylphenyl)-N-[10-[4-[3-[3-[N-[10-(4-phenylphenyl)phenanthren-9-yl]-4-[4-(2-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]phenanthren-9-yl]anilino]phenyl]phenyl]phenyl]-N-phenyl-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[4-[3-[3-[4-(3,4-diphenylphenyl)-N-[10-[4-[3-[3-[N-[10-(4-phenylphenyl)phenanthren-9-yl]-4-[4-(2-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]phenanthren-9-yl]anilino]phenyl]phenyl]phenyl]-N-phenyl-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine?
The IUPAC name of 10-[4-[3-[3-[4-(3,4-diphenylphenyl)-N-[10-[4-[3-[3-[N-[10-(4-phenylphenyl)phenanthren-9-yl]-4-[4-(2-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]phenanthren-9-yl]anilino]phenyl]phenyl]phenyl]-N-phenyl-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine (CID 155305411) is 10-[4-[3-[3-[4-(3,4-diphenylphenyl)-N-[10-[4-[3-[3-[N-[10-(4-phenylphenyl)phenanthren-9-yl]-4-[4-(2-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]phenanthren-9-yl]anilino]phenyl]phenyl]phenyl]-N-phenyl-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine.
What is the SMILES notation for 10-[4-[3-[3-[4-(3,4-diphenylphenyl)-N-[10-[4-[3-[3-[N-[10-(4-phenylphenyl)phenanthren-9-yl]-4-[4-(2-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]phenanthren-9-yl]anilino]phenyl]phenyl]phenyl]-N-phenyl-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine?
The canonical SMILES for 10-[4-[3-[3-[4-(3,4-diphenylphenyl)-N-[10-[4-[3-[3-[N-[10-(4-phenylphenyl)phenanthren-9-yl]-4-[4-(2-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]phenanthren-9-yl]anilino]phenyl]phenyl]phenyl]-N-phenyl-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4c(-c5ccc(-c6cccc(-c7cccc(N(c8ccc(-c9ccc(-c%10ccccc%10)c(-c%10ccccc%10)c9)cc8)c8c(-c9ccc(-c%10cccc(-c%11cccc(N(c%12ccc(-c%13ccc(-c%14ccccc%14-c%14ccccc%14)cc%13)cc%12)c%12c(-c%13ccc(-c%14ccccc%14)cc%13)c%13ccccc%13c%13ccccc%12%13)c%11)c%10)cc9)c9ccccc9c9ccccc89)c7)c6)cc5)c5ccccc5c5ccccc45)cc3-c3ccccc3)cc2)cc1.
What is the InChIKey of 10-[4-[3-[3-[4-(3,4-diphenylphenyl)-N-[10-[4-[3-[3-[N-[10-(4-phenylphenyl)phenanthren-9-yl]-4-[4-(2-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]phenanthren-9-yl]anilino]phenyl]phenyl]phenyl]-N-phenyl-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine?
The InChIKey is RBYBFRNNWJYJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C168H113N3/c1-8-40-114(41-9-1)116-76-88-128(89-77-116)148-107-105-144(113-162(148)126-50-18-6-19-51-126)169(139-58-20-7-21-59-139)166-158-73-33-27-67-152(158)149-64-24-30-70-155(149)163(166)130-92-82-120(83-93-130)132-52-36-55-135(108-132)137-57-39-61-143(111-137)171(141-103-98-122(99-104-141)138-100-106-147(124-46-14-4-15-47-124)161(112-138)125-48-16-5-17-49-125)168-160-75-35-29-69-154(160)151-66-26-32-72-157(151)165(168)131-94-84-121(85-95-131)133-53-37-54-134(109-133)136-56-38-60-142(110-136)170(140-101-96-119(97-102-140)118-78-86-127(87-79-118)146-63-23-22-62-145(146)123-44-12-3-13-45-123)167-159-74-34-28-68-153(159)150-65-25-31-71-156(150)164(167)129-90-80-117(81-91-129)115-42-10-2-11-43-115/h1-113H.
What are the key properties of 10-[4-[3-[3-[4-(3,4-diphenylphenyl)-N-[10-[4-[3-[3-[N-[10-(4-phenylphenyl)phenanthren-9-yl]-4-[4-(2-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]phenanthren-9-yl]anilino]phenyl]phenyl]phenyl]-N-phenyl-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine?
10-[4-[3-[3-[4-(3,4-diphenylphenyl)-N-[10-[4-[3-[3-[N-[10-(4-phenylphenyl)phenanthren-9-yl]-4-[4-(2-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]phenanthren-9-yl]anilino]phenyl]phenyl]phenyl]-N-phenyl-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine has a molecular weight of 2173.77 g/mol, XLogP of 47.35, 26 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[3-[3-[4-(3,4-diphenylphenyl)-N-[10-[4-[3-[3-[N-[10-(4-phenylphenyl)phenanthren-9-yl]-4-[4-(2-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]phenanthren-9-yl]anilino]phenyl]phenyl]phenyl]-N-phenyl-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine is sourced from PubChem (CID 155305411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).