N-(4-tert-butylphenyl)-N-[4-[9-[6-[9-[4-[N-(4-tert-butylphenyl)-4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]anilino]phenyl]fluoren-9-yl]-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazol-3-yl]fluoren-9-yl]phenyl]-4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]aniline

C160H126N8 — CID 58151168

IUPACN-(4-tert-butylphenyl)-N-[4-[9-[6-[9-[4-[N-(4-tert-butylphenyl)-4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]anilino]phenyl]fluoren-9-yl]-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazol-3-yl]fluoren-9-yl]phenyl]-4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]aniline
SMILESCC(C)(C)c1ccc(N(c2ccc(-c3cncc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)cc2)c2ccc(C3(c4ccc5c(c4)c4cc(C6(c7ccc(N(c8ccc(-c9cncc(-c%10ccc(-n%11c%12ccccc%12c%12ccccc%12%11)cc%10)c9)cc8)c8ccc(C(C)(C)C)cc8)cc7)c7ccccc7-c7ccccc76)ccc4n5-c4ccc(-c5ccc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)cc5)cc4)c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C160H126N8/c1-155(2,3)113-57-81-123(82-58-113)163(121-69-49-105(50-70-121)109-93-111(101-161-99-109)107-53-77-127(78-54-107)165-147-41-25-17-33-135(147)136-34-18-26-42-148(136)165)125-85-61-115(62-86-125)159(143-37-21-13-29-131(143)132-30-14-22-38-144(132)159)119-67-91-153-141(97-119)142-98-120(68-92-154(142)168(153)130-75-47-104(48-76-130)103-45-73-129(74-46-103)167-151-89-65-117(157(7,8)9)95-139(151)140-96-118(158(10,11)12)66-90-152(140)167)160(145-39-23-15-31-133(145)134-32-16-24-40-146(134)160)116-63-87-126(88-64-116)164(124-83-59-114(60-84-124)156(4,5)6)122-71-51-106(52-72-122)110-94-112(102-162-100-110)108-55-79-128(80-56-108)166-149-43-27-19-35-137(149)138-36-20-28-44-150(138)166/h13-102H,1-12H3
InChIKeyHMIGZGZAUMRHAH-UHFFFAOYSA-N
MW2160.82 g/mol
LogP42.06
Rot. Bonds19

About N-(4-tert-butylphenyl)-N-[4-[9-[6-[9-[4-[N-(4-tert-butylphenyl)-4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]anilino]phenyl]fluoren-9-yl]-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazol-3-yl]fluoren-9-yl]phenyl]-4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]aniline

N-(4-tert-butylphenyl)-N-[4-[9-[6-[9-[4-[N-(4-tert-butylphenyl)-4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]anilino]phenyl]fluoren-9-yl]-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazol-3-yl]fluoren-9-yl]phenyl]-4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]aniline (PubChem CID 58151168) has the molecular formula C160H126N8 and a molecular weight of 2160.82 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N-[4-[9-[6-[9-[4-[N-(4-tert-butylphenyl)-4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]anilino]phenyl]fluoren-9-yl]-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazol-3-yl]fluoren-9-yl]phenyl]-4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]aniline.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-N-[4-[9-[6-[9-[4-[N-(4-tert-butylphenyl)-4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]anilino]phenyl]fluoren-9-yl]-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazol-3-yl]fluoren-9-yl]phenyl]-4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]aniline
PubChem CID58151168
Molecular FormulaC160H126N8
Molecular Weight2160.82 g/mol
Exact Mass2159.01
IUPAC NameN-(4-tert-butylphenyl)-N-[4-[9-[6-[9-[4-[N-(4-tert-butylphenyl)-4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]anilino]phenyl]fluoren-9-yl]-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazol-3-yl]fluoren-9-yl]phenyl]-4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]aniline
SMILESCC(C)(C)c1ccc(N(c2ccc(-c3cncc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)cc2)c2ccc(C3(c4ccc5c(c4)c4cc(C6(c7ccc(N(c8ccc(-c9cncc(-c%10ccc(-n%11c%12ccccc%12c%12ccccc%12%11)cc%10)c9)cc8)c8ccc(C(C)(C)C)cc8)cc7)c7ccccc7-c7ccccc76)ccc4n5-c4ccc(-c5ccc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)cc5)cc4)c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C160H126N8/c1-155(2,3)113-57-81-123(82-58-113)163(121-69-49-105(50-70-121)109-93-111(101-161-99-109)107-53-77-127(78-54-107)165-147-41-25-17-33-135(147)136-34-18-26-42-148(136)165)125-85-61-115(62-86-125)159(143-37-21-13-29-131(143)132-30-14-22-38-144(132)159)119-67-91-153-141(97-119)142-98-120(68-92-154(142)168(153)130-75-47-104(48-76-130)103-45-73-129(74-46-103)167-151-89-65-117(157(7,8)9)95-139(151)140-96-118(158(10,11)12)66-90-152(140)167)160(145-39-23-15-31-133(145)134-32-16-24-40-146(134)160)116-63-87-126(88-64-116)164(124-83-59-114(60-84-124)156(4,5)6)122-71-51-106(52-72-122)110-94-112(102-162-100-110)108-55-79-128(80-56-108)166-149-43-27-19-35-137(149)138-36-20-28-44-150(138)166/h13-102H,1-12H3
InChIKeyHMIGZGZAUMRHAH-UHFFFAOYSA-N
XLogP42.06
TPSA51.98 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms168
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002160.82
LogP ≤ 542.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-(4-tert-butylphenyl)-N-[4-[9-[6-[9-[4-[N-(4-tert-butylphenyl)-4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]anilino]phenyl]fluoren-9-yl]-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazol-3-yl]fluoren-9-yl]phenyl]-4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N-[4-[9-[6-[9-[4-[N-(4-tert-butylphenyl)-4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]anilino]phenyl]fluoren-9-yl]-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazol-3-yl]fluoren-9-yl]phenyl]-4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]aniline?
The IUPAC name of N-(4-tert-butylphenyl)-N-[4-[9-[6-[9-[4-[N-(4-tert-butylphenyl)-4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]anilino]phenyl]fluoren-9-yl]-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazol-3-yl]fluoren-9-yl]phenyl]-4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]aniline (CID 58151168) is N-(4-tert-butylphenyl)-N-[4-[9-[6-[9-[4-[N-(4-tert-butylphenyl)-4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]anilino]phenyl]fluoren-9-yl]-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazol-3-yl]fluoren-9-yl]phenyl]-4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]aniline.
What is the SMILES notation for N-(4-tert-butylphenyl)-N-[4-[9-[6-[9-[4-[N-(4-tert-butylphenyl)-4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]anilino]phenyl]fluoren-9-yl]-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazol-3-yl]fluoren-9-yl]phenyl]-4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]aniline?
The canonical SMILES for N-(4-tert-butylphenyl)-N-[4-[9-[6-[9-[4-[N-(4-tert-butylphenyl)-4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]anilino]phenyl]fluoren-9-yl]-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazol-3-yl]fluoren-9-yl]phenyl]-4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]aniline is CC(C)(C)c1ccc(N(c2ccc(-c3cncc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)cc2)c2ccc(C3(c4ccc5c(c4)c4cc(C6(c7ccc(N(c8ccc(-c9cncc(-c%10ccc(-n%11c%12ccccc%12c%12ccccc%12%11)cc%10)c9)cc8)c8ccc(C(C)(C)C)cc8)cc7)c7ccccc7-c7ccccc76)ccc4n5-c4ccc(-c5ccc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)cc5)cc4)c4ccccc4-c4ccccc43)cc2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-N-[4-[9-[6-[9-[4-[N-(4-tert-butylphenyl)-4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]anilino]phenyl]fluoren-9-yl]-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazol-3-yl]fluoren-9-yl]phenyl]-4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]aniline?
The InChIKey is HMIGZGZAUMRHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C160H126N8/c1-155(2,3)113-57-81-123(82-58-113)163(121-69-49-105(50-70-121)109-93-111(101-161-99-109)107-53-77-127(78-54-107)165-147-41-25-17-33-135(147)136-34-18-26-42-148(136)165)125-85-61-115(62-86-125)159(143-37-21-13-29-131(143)132-30-14-22-38-144(132)159)119-67-91-153-141(97-119)142-98-120(68-92-154(142)168(153)130-75-47-104(48-76-130)103-45-73-129(74-46-103)167-151-89-65-117(157(7,8)9)95-139(151)140-96-118(158(10,11)12)66-90-152(140)167)160(145-39-23-15-31-133(145)134-32-16-24-40-146(134)160)116-63-87-126(88-64-116)164(124-83-59-114(60-84-124)156(4,5)6)122-71-51-106(52-72-122)110-94-112(102-162-100-110)108-55-79-128(80-56-108)166-149-43-27-19-35-137(149)138-36-20-28-44-150(138)166/h13-102H,1-12H3.
What are the key properties of N-(4-tert-butylphenyl)-N-[4-[9-[6-[9-[4-[N-(4-tert-butylphenyl)-4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]anilino]phenyl]fluoren-9-yl]-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazol-3-yl]fluoren-9-yl]phenyl]-4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]aniline?
N-(4-tert-butylphenyl)-N-[4-[9-[6-[9-[4-[N-(4-tert-butylphenyl)-4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]anilino]phenyl]fluoren-9-yl]-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazol-3-yl]fluoren-9-yl]phenyl]-4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]aniline has a molecular weight of 2160.82 g/mol, XLogP of 42.06, 19 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-N-[4-[9-[6-[9-[4-[N-(4-tert-butylphenyl)-4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]anilino]phenyl]fluoren-9-yl]-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazol-3-yl]fluoren-9-yl]phenyl]-4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]aniline is sourced from PubChem (CID 58151168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).