N-(2-dibenzothiophen-4-ylphenyl)-N-[4-[4-[3-[10-[N-(2-dibenzothiophen-4-ylphenyl)-4-[4-[4-[4-[3-[10-[N-(2-dibenzothiophen-4-ylphenyl)-4-[4-(3-phenylphenyl)phenyl]anilino]phenanthren-9-yl]phenyl]phenyl]phenyl]phenyl]anilino]phenanthren-9-yl]phenyl]phenyl]-3-phenylphenyl]-10-phenylphenanthren-9-amine

C180H115N3S3 — CID 155304328

IUPACN-(2-dibenzothiophen-4-ylphenyl)-N-[4-[4-[3-[10-[N-(2-dibenzothiophen-4-ylphenyl)-4-[4-[4-[4-[3-[10-[N-(2-dibenzothiophen-4-ylphenyl)-4-[4-(3-phenylphenyl)phenyl]anilino]phenanthren-9-yl]phenyl]phenyl]phenyl]phenyl]anilino]phenanthren-9-yl]phenyl]phenyl]-3-phenylphenyl]-10-phenylphenanthren-9-amine
SMILESc1ccc(-c2cccc(-c3ccc(-c4ccc(N(c5ccccc5-c5cccc6c5sc5ccccc56)c5c(-c6cccc(-c7ccc(-c8ccc(-c9ccc(-c%10ccc(N(c%11ccccc%11-c%11cccc%12c%11sc%11ccccc%11%12)c%11c(-c%12cccc(-c%13ccc(-c%14ccc(N(c%15ccccc%15-c%15cccc%16c%15sc%15ccccc%15%16)c%15c(-c%16ccccc%16)c%16ccccc%16c%16ccccc%15%16)cc%14-c%14ccccc%14)cc%13)c%12)c%12ccccc%12c%12ccccc%11%12)cc%10)cc9)cc8)cc7)c6)c6ccccc6c6ccccc56)cc4)cc3)c2)cc1
InChIInChI=1S/C180H115N3S3/c1-4-40-116(41-5-1)131-46-34-47-132(112-131)125-94-92-122(93-95-125)124-104-108-138(109-105-124)182(167-77-29-23-59-148(167)160-71-38-74-163-151-62-26-32-80-170(151)185-179(160)163)176-157-68-20-14-56-145(157)142-53-11-17-65-154(142)173(176)135-50-35-48-133(113-135)126-96-90-120(91-97-126)119-84-82-117(83-85-119)118-86-88-121(89-87-118)123-102-106-137(107-103-123)181(166-76-28-22-58-147(166)159-70-37-73-162-150-61-25-31-79-169(150)184-178(159)162)177-158-69-21-15-57-146(158)143-54-12-18-66-155(143)174(177)136-51-36-49-134(114-136)127-98-100-129(101-99-127)140-111-110-139(115-165(140)128-42-6-2-7-43-128)183(168-78-30-24-60-149(168)161-72-39-75-164-152-63-27-33-81-171(152)186-180(161)164)175-156-67-19-13-55-144(156)141-52-10-16-64-153(141)172(175)130-44-8-3-9-45-130/h1-115H
InChIKeyRYXNFGICSYGNHK-UHFFFAOYSA-N
MW2416.12 g/mol
LogP52.79
Rot. Bonds25

About N-(2-dibenzothiophen-4-ylphenyl)-N-[4-[4-[3-[10-[N-(2-dibenzothiophen-4-ylphenyl)-4-[4-[4-[4-[3-[10-[N-(2-dibenzothiophen-4-ylphenyl)-4-[4-(3-phenylphenyl)phenyl]anilino]phenanthren-9-yl]phenyl]phenyl]phenyl]phenyl]anilino]phenanthren-9-yl]phenyl]phenyl]-3-phenylphenyl]-10-phenylphenanthren-9-amine

N-(2-dibenzothiophen-4-ylphenyl)-N-[4-[4-[3-[10-[N-(2-dibenzothiophen-4-ylphenyl)-4-[4-[4-[4-[3-[10-[N-(2-dibenzothiophen-4-ylphenyl)-4-[4-(3-phenylphenyl)phenyl]anilino]phenanthren-9-yl]phenyl]phenyl]phenyl]phenyl]anilino]phenanthren-9-yl]phenyl]phenyl]-3-phenylphenyl]-10-phenylphenanthren-9-amine (PubChem CID 155304328) has the molecular formula C180H115N3S3 and a molecular weight of 2416.12 g/mol. Its IUPAC name is N-(2-dibenzothiophen-4-ylphenyl)-N-[4-[4-[3-[10-[N-(2-dibenzothiophen-4-ylphenyl)-4-[4-[4-[4-[3-[10-[N-(2-dibenzothiophen-4-ylphenyl)-4-[4-(3-phenylphenyl)phenyl]anilino]phenanthren-9-yl]phenyl]phenyl]phenyl]phenyl]anilino]phenanthren-9-yl]phenyl]phenyl]-3-phenylphenyl]-10-phenylphenanthren-9-amine.

Molecular Properties

Compound NameN-(2-dibenzothiophen-4-ylphenyl)-N-[4-[4-[3-[10-[N-(2-dibenzothiophen-4-ylphenyl)-4-[4-[4-[4-[3-[10-[N-(2-dibenzothiophen-4-ylphenyl)-4-[4-(3-phenylphenyl)phenyl]anilino]phenanthren-9-yl]phenyl]phenyl]phenyl]phenyl]anilino]phenanthren-9-yl]phenyl]phenyl]-3-phenylphenyl]-10-phenylphenanthren-9-amine
PubChem CID155304328
Molecular FormulaC180H115N3S3
Molecular Weight2416.12 g/mol
Exact Mass2413.83
IUPAC NameN-(2-dibenzothiophen-4-ylphenyl)-N-[4-[4-[3-[10-[N-(2-dibenzothiophen-4-ylphenyl)-4-[4-[4-[4-[3-[10-[N-(2-dibenzothiophen-4-ylphenyl)-4-[4-(3-phenylphenyl)phenyl]anilino]phenanthren-9-yl]phenyl]phenyl]phenyl]phenyl]anilino]phenanthren-9-yl]phenyl]phenyl]-3-phenylphenyl]-10-phenylphenanthren-9-amine
SMILESc1ccc(-c2cccc(-c3ccc(-c4ccc(N(c5ccccc5-c5cccc6c5sc5ccccc56)c5c(-c6cccc(-c7ccc(-c8ccc(-c9ccc(-c%10ccc(N(c%11ccccc%11-c%11cccc%12c%11sc%11ccccc%11%12)c%11c(-c%12cccc(-c%13ccc(-c%14ccc(N(c%15ccccc%15-c%15cccc%16c%15sc%15ccccc%15%16)c%15c(-c%16ccccc%16)c%16ccccc%16c%16ccccc%15%16)cc%14-c%14ccccc%14)cc%13)c%12)c%12ccccc%12c%12ccccc%11%12)cc%10)cc9)cc8)cc7)c6)c6ccccc6c6ccccc56)cc4)cc3)c2)cc1
InChIInChI=1S/C180H115N3S3/c1-4-40-116(41-5-1)131-46-34-47-132(112-131)125-94-92-122(93-95-125)124-104-108-138(109-105-124)182(167-77-29-23-59-148(167)160-71-38-74-163-151-62-26-32-80-170(151)185-179(160)163)176-157-68-20-14-56-145(157)142-53-11-17-65-154(142)173(176)135-50-35-48-133(113-135)126-96-90-120(91-97-126)119-84-82-117(83-85-119)118-86-88-121(89-87-118)123-102-106-137(107-103-123)181(166-76-28-22-58-147(166)159-70-37-73-162-150-61-25-31-79-169(150)184-178(159)162)177-158-69-21-15-57-146(158)143-54-12-18-66-155(143)174(177)136-51-36-49-134(114-136)127-98-100-129(101-99-127)140-111-110-139(115-165(140)128-42-6-2-7-43-128)183(168-78-30-24-60-149(168)161-72-39-75-164-152-63-27-33-81-171(152)186-180(161)164)175-156-67-19-13-55-144(156)141-52-10-16-64-153(141)172(175)130-44-8-3-9-45-130/h1-115H
InChIKeyRYXNFGICSYGNHK-UHFFFAOYSA-N
XLogP52.79
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds25
Heavy Atoms186
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002416.12
LogP ≤ 552.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Related Compounds

N-(2-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-10-(4-phenylphenyl)phenanthren-9-amine
CID 155305496
N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(2,5-diphenylphenyl)phenyl]-10-(3-phenylphenyl)phenanthren-9-amine
CID 155303762
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-2-phenylaniline
CID 164831950
N-(2-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155305049
4-dibenzothiophen-4-yl-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 129129842
N-(3-dibenzothiophen-4-ylphenyl)-N,10-bis(3-phenylphenyl)phenanthren-9-amine
CID 155304369
N-(10-naphthalen-1-ylphenanthren-9-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 155304619
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
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-4-phenylaniline
CID 164831578
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172500791
2-dibenzothiophen-4-yl-N-phenyl-N-(4-phenylphenyl)aniline
CID 129274012
N-(2-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501939

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzothiophen-4-ylphenyl)-N-[4-[4-[3-[10-[N-(2-dibenzothiophen-4-ylphenyl)-4-[4-[4-[4-[3-[10-[N-(2-dibenzothiophen-4-ylphenyl)-4-[4-(3-phenylphenyl)phenyl]anilino]phenanthren-9-yl]phenyl]phenyl]phenyl]phenyl]anilino]phenanthren-9-yl]phenyl]phenyl]-3-phenylphenyl]-10-phenylphenanthren-9-amine?
The IUPAC name of N-(2-dibenzothiophen-4-ylphenyl)-N-[4-[4-[3-[10-[N-(2-dibenzothiophen-4-ylphenyl)-4-[4-[4-[4-[3-[10-[N-(2-dibenzothiophen-4-ylphenyl)-4-[4-(3-phenylphenyl)phenyl]anilino]phenanthren-9-yl]phenyl]phenyl]phenyl]phenyl]anilino]phenanthren-9-yl]phenyl]phenyl]-3-phenylphenyl]-10-phenylphenanthren-9-amine (CID 155304328) is N-(2-dibenzothiophen-4-ylphenyl)-N-[4-[4-[3-[10-[N-(2-dibenzothiophen-4-ylphenyl)-4-[4-[4-[4-[3-[10-[N-(2-dibenzothiophen-4-ylphenyl)-4-[4-(3-phenylphenyl)phenyl]anilino]phenanthren-9-yl]phenyl]phenyl]phenyl]phenyl]anilino]phenanthren-9-yl]phenyl]phenyl]-3-phenylphenyl]-10-phenylphenanthren-9-amine.
What is the SMILES notation for N-(2-dibenzothiophen-4-ylphenyl)-N-[4-[4-[3-[10-[N-(2-dibenzothiophen-4-ylphenyl)-4-[4-[4-[4-[3-[10-[N-(2-dibenzothiophen-4-ylphenyl)-4-[4-(3-phenylphenyl)phenyl]anilino]phenanthren-9-yl]phenyl]phenyl]phenyl]phenyl]anilino]phenanthren-9-yl]phenyl]phenyl]-3-phenylphenyl]-10-phenylphenanthren-9-amine?
The canonical SMILES for N-(2-dibenzothiophen-4-ylphenyl)-N-[4-[4-[3-[10-[N-(2-dibenzothiophen-4-ylphenyl)-4-[4-[4-[4-[3-[10-[N-(2-dibenzothiophen-4-ylphenyl)-4-[4-(3-phenylphenyl)phenyl]anilino]phenanthren-9-yl]phenyl]phenyl]phenyl]phenyl]anilino]phenanthren-9-yl]phenyl]phenyl]-3-phenylphenyl]-10-phenylphenanthren-9-amine is c1ccc(-c2cccc(-c3ccc(-c4ccc(N(c5ccccc5-c5cccc6c5sc5ccccc56)c5c(-c6cccc(-c7ccc(-c8ccc(-c9ccc(-c%10ccc(N(c%11ccccc%11-c%11cccc%12c%11sc%11ccccc%11%12)c%11c(-c%12cccc(-c%13ccc(-c%14ccc(N(c%15ccccc%15-c%15cccc%16c%15sc%15ccccc%15%16)c%15c(-c%16ccccc%16)c%16ccccc%16c%16ccccc%15%16)cc%14-c%14ccccc%14)cc%13)c%12)c%12ccccc%12c%12ccccc%11%12)cc%10)cc9)cc8)cc7)c6)c6ccccc6c6ccccc56)cc4)cc3)c2)cc1.
What is the InChIKey of N-(2-dibenzothiophen-4-ylphenyl)-N-[4-[4-[3-[10-[N-(2-dibenzothiophen-4-ylphenyl)-4-[4-[4-[4-[3-[10-[N-(2-dibenzothiophen-4-ylphenyl)-4-[4-(3-phenylphenyl)phenyl]anilino]phenanthren-9-yl]phenyl]phenyl]phenyl]phenyl]anilino]phenanthren-9-yl]phenyl]phenyl]-3-phenylphenyl]-10-phenylphenanthren-9-amine?
The InChIKey is RYXNFGICSYGNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C180H115N3S3/c1-4-40-116(41-5-1)131-46-34-47-132(112-131)125-94-92-122(93-95-125)124-104-108-138(109-105-124)182(167-77-29-23-59-148(167)160-71-38-74-163-151-62-26-32-80-170(151)185-179(160)163)176-157-68-20-14-56-145(157)142-53-11-17-65-154(142)173(176)135-50-35-48-133(113-135)126-96-90-120(91-97-126)119-84-82-117(83-85-119)118-86-88-121(89-87-118)123-102-106-137(107-103-123)181(166-76-28-22-58-147(166)159-70-37-73-162-150-61-25-31-79-169(150)184-178(159)162)177-158-69-21-15-57-146(158)143-54-12-18-66-155(143)174(177)136-51-36-49-134(114-136)127-98-100-129(101-99-127)140-111-110-139(115-165(140)128-42-6-2-7-43-128)183(168-78-30-24-60-149(168)161-72-39-75-164-152-63-27-33-81-171(152)186-180(161)164)175-156-67-19-13-55-144(156)141-52-10-16-64-153(141)172(175)130-44-8-3-9-45-130/h1-115H.
What are the key properties of N-(2-dibenzothiophen-4-ylphenyl)-N-[4-[4-[3-[10-[N-(2-dibenzothiophen-4-ylphenyl)-4-[4-[4-[4-[3-[10-[N-(2-dibenzothiophen-4-ylphenyl)-4-[4-(3-phenylphenyl)phenyl]anilino]phenanthren-9-yl]phenyl]phenyl]phenyl]phenyl]anilino]phenanthren-9-yl]phenyl]phenyl]-3-phenylphenyl]-10-phenylphenanthren-9-amine?
N-(2-dibenzothiophen-4-ylphenyl)-N-[4-[4-[3-[10-[N-(2-dibenzothiophen-4-ylphenyl)-4-[4-[4-[4-[3-[10-[N-(2-dibenzothiophen-4-ylphenyl)-4-[4-(3-phenylphenyl)phenyl]anilino]phenanthren-9-yl]phenyl]phenyl]phenyl]phenyl]anilino]phenanthren-9-yl]phenyl]phenyl]-3-phenylphenyl]-10-phenylphenanthren-9-amine has a molecular weight of 2416.12 g/mol, XLogP of 52.79, 25 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzothiophen-4-ylphenyl)-N-[4-[4-[3-[10-[N-(2-dibenzothiophen-4-ylphenyl)-4-[4-[4-[4-[3-[10-[N-(2-dibenzothiophen-4-ylphenyl)-4-[4-(3-phenylphenyl)phenyl]anilino]phenanthren-9-yl]phenyl]phenyl]phenyl]phenyl]anilino]phenanthren-9-yl]phenyl]phenyl]-3-phenylphenyl]-10-phenylphenanthren-9-amine is sourced from PubChem (CID 155304328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).