N-[4-[3,6-bis[9-[4-[N-(4-tert-butylphenyl)-4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]anilino]phenyl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline

C172H126N10 — CID 58151161

IUPACN-[4-[3,6-bis[9-[4-[N-(4-tert-butylphenyl)-4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]anilino]phenyl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(-n3c4ccc(C5(c6ccc(N(c7ccc(-c8cncc(-c9cc(-n%10c%11ccccc%11c%11ccccc%11%10)cc(-n%10c%11ccccc%11c%11ccccc%11%10)c9)c8)cc7)c7ccc(C(C)(C)C)cc7)cc6)c6ccccc6-c6ccccc65)cc4c4cc(C5(c6ccc(N(c7ccc(-c8cncc(-c9cc(-n%10c%11ccccc%11c%11ccccc%11%10)cc(-n%10c%11ccccc%11c%11ccccc%11%10)c9)c8)cc7)c7ccc(C(C)(C)C)cc7)cc6)c6ccccc6-c6ccccc65)ccc43)cc2)cc1
InChIInChI=1S/C172H126N10/c1-111-57-75-127(76-58-111)175(128-77-59-112(2)60-78-128)135-91-93-136(94-92-135)178-167-95-73-125(171(155-45-21-9-33-141(155)142-34-10-22-46-156(142)171)123-69-87-133(88-70-123)176(131-83-65-121(66-84-131)169(3,4)5)129-79-61-113(62-80-129)117-97-119(109-173-107-117)115-99-137(179-159-49-25-13-37-145(159)146-38-14-26-50-160(146)179)105-138(100-115)180-161-51-27-15-39-147(161)148-40-16-28-52-162(148)180)103-153(167)154-104-126(74-96-168(154)178)172(157-47-23-11-35-143(157)144-36-12-24-48-158(144)172)124-71-89-134(90-72-124)177(132-85-67-122(68-86-132)170(6,7)8)130-81-63-114(64-82-130)118-98-120(110-174-108-118)116-101-139(181-163-53-29-17-41-149(163)150-42-18-30-54-164(150)181)106-140(102-116)182-165-55-31-19-43-151(165)152-44-20-32-56-166(152)182/h9-110H,1-8H3
InChIKeyPJPFDEOXSWTOOR-UHFFFAOYSA-N
MW2332.97 g/mol
LogP44.98
Rot. Bonds22

About N-[4-[3,6-bis[9-[4-[N-(4-tert-butylphenyl)-4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]anilino]phenyl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline

N-[4-[3,6-bis[9-[4-[N-(4-tert-butylphenyl)-4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]anilino]phenyl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (PubChem CID 58151161) has the molecular formula C172H126N10 and a molecular weight of 2332.97 g/mol. Its IUPAC name is N-[4-[3,6-bis[9-[4-[N-(4-tert-butylphenyl)-4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]anilino]phenyl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[3,6-bis[9-[4-[N-(4-tert-butylphenyl)-4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]anilino]phenyl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
PubChem CID58151161
Molecular FormulaC172H126N10
Molecular Weight2332.97 g/mol
Exact Mass2331.02
IUPAC NameN-[4-[3,6-bis[9-[4-[N-(4-tert-butylphenyl)-4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]anilino]phenyl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(-n3c4ccc(C5(c6ccc(N(c7ccc(-c8cncc(-c9cc(-n%10c%11ccccc%11c%11ccccc%11%10)cc(-n%10c%11ccccc%11c%11ccccc%11%10)c9)c8)cc7)c7ccc(C(C)(C)C)cc7)cc6)c6ccccc6-c6ccccc65)cc4c4cc(C5(c6ccc(N(c7ccc(-c8cncc(-c9cc(-n%10c%11ccccc%11c%11ccccc%11%10)cc(-n%10c%11ccccc%11c%11ccccc%11%10)c9)c8)cc7)c7ccc(C(C)(C)C)cc7)cc6)c6ccccc6-c6ccccc65)ccc43)cc2)cc1
InChIInChI=1S/C172H126N10/c1-111-57-75-127(76-58-111)175(128-77-59-112(2)60-78-128)135-91-93-136(94-92-135)178-167-95-73-125(171(155-45-21-9-33-141(155)142-34-10-22-46-156(142)171)123-69-87-133(88-70-123)176(131-83-65-121(66-84-131)169(3,4)5)129-79-61-113(62-80-129)117-97-119(109-173-107-117)115-99-137(179-159-49-25-13-37-145(159)146-38-14-26-50-160(146)179)105-138(100-115)180-161-51-27-15-39-147(161)148-40-16-28-52-162(148)180)103-153(167)154-104-126(74-96-168(154)178)172(157-47-23-11-35-143(157)144-36-12-24-48-158(144)172)124-71-89-134(90-72-124)177(132-85-67-122(68-86-132)170(6,7)8)130-81-63-114(64-82-130)118-98-120(110-174-108-118)116-101-139(181-163-53-29-17-41-149(163)150-42-18-30-54-164(150)181)106-140(102-116)182-165-55-31-19-43-151(165)152-44-20-32-56-166(152)182/h9-110H,1-8H3
InChIKeyPJPFDEOXSWTOOR-UHFFFAOYSA-N
XLogP44.98
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds22
Heavy Atoms182
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002332.97
LogP ≤ 544.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze N-[4-[3,6-bis[9-[4-[N-(4-tert-butylphenyl)-4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]anilino]phenyl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3,6-bis[9-[4-[N-(4-tert-butylphenyl)-4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]anilino]phenyl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The IUPAC name of N-[4-[3,6-bis[9-[4-[N-(4-tert-butylphenyl)-4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]anilino]phenyl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (CID 58151161) is N-[4-[3,6-bis[9-[4-[N-(4-tert-butylphenyl)-4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]anilino]phenyl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.
What is the SMILES notation for N-[4-[3,6-bis[9-[4-[N-(4-tert-butylphenyl)-4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]anilino]phenyl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The canonical SMILES for N-[4-[3,6-bis[9-[4-[N-(4-tert-butylphenyl)-4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]anilino]phenyl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is Cc1ccc(N(c2ccc(C)cc2)c2ccc(-n3c4ccc(C5(c6ccc(N(c7ccc(-c8cncc(-c9cc(-n%10c%11ccccc%11c%11ccccc%11%10)cc(-n%10c%11ccccc%11c%11ccccc%11%10)c9)c8)cc7)c7ccc(C(C)(C)C)cc7)cc6)c6ccccc6-c6ccccc65)cc4c4cc(C5(c6ccc(N(c7ccc(-c8cncc(-c9cc(-n%10c%11ccccc%11c%11ccccc%11%10)cc(-n%10c%11ccccc%11c%11ccccc%11%10)c9)c8)cc7)c7ccc(C(C)(C)C)cc7)cc6)c6ccccc6-c6ccccc65)ccc43)cc2)cc1.
What is the InChIKey of N-[4-[3,6-bis[9-[4-[N-(4-tert-butylphenyl)-4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]anilino]phenyl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The InChIKey is PJPFDEOXSWTOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C172H126N10/c1-111-57-75-127(76-58-111)175(128-77-59-112(2)60-78-128)135-91-93-136(94-92-135)178-167-95-73-125(171(155-45-21-9-33-141(155)142-34-10-22-46-156(142)171)123-69-87-133(88-70-123)176(131-83-65-121(66-84-131)169(3,4)5)129-79-61-113(62-80-129)117-97-119(109-173-107-117)115-99-137(179-159-49-25-13-37-145(159)146-38-14-26-50-160(146)179)105-138(100-115)180-161-51-27-15-39-147(161)148-40-16-28-52-162(148)180)103-153(167)154-104-126(74-96-168(154)178)172(157-47-23-11-35-143(157)144-36-12-24-48-158(144)172)124-71-89-134(90-72-124)177(132-85-67-122(68-86-132)170(6,7)8)130-81-63-114(64-82-130)118-98-120(110-174-108-118)116-101-139(181-163-53-29-17-41-149(163)150-42-18-30-54-164(150)181)106-140(102-116)182-165-55-31-19-43-151(165)152-44-20-32-56-166(152)182/h9-110H,1-8H3.
What are the key properties of N-[4-[3,6-bis[9-[4-[N-(4-tert-butylphenyl)-4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]anilino]phenyl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
N-[4-[3,6-bis[9-[4-[N-(4-tert-butylphenyl)-4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]anilino]phenyl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline has a molecular weight of 2332.97 g/mol, XLogP of 44.98, 22 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3,6-bis[9-[4-[N-(4-tert-butylphenyl)-4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]anilino]phenyl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is sourced from PubChem (CID 58151161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).