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

C172H122N10 — CID 58151151

IUPACN-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(-n3c4ccc(C5(c6ccc7c(c6)c6cc(-c8cncc(-c9cc(-n%10c%11ccccc%11c%11ccccc%11%10)cc(-n%10c%11ccccc%11c%11ccccc%11%10)c9)c8)ccc6n7-c6ccc(C(C)(C)C)cc6)c6ccccc6-c6ccccc65)cc4c4cc(C5(c6ccc7c(c6)c6cc(-c8cncc(-c9cc(-n%10c%11ccccc%11c%11ccccc%11%10)cc(-n%10c%11ccccc%11c%11ccccc%11%10)c9)c8)ccc6n7-c6ccc(C(C)(C)C)cc6)c6ccccc6-c6ccccc65)ccc43)cc2)cc1
InChIInChI=1S/C172H122N10/c1-107-57-71-123(72-58-107)175(124-73-59-108(2)60-74-124)125-79-81-128(82-80-125)178-167-87-69-121(171(151-45-21-9-33-133(151)134-34-10-22-46-152(134)171)119-67-85-165-147(97-119)145-95-109(61-83-163(145)176(165)126-75-63-117(64-76-126)169(3,4)5)113-89-115(105-173-103-113)111-91-129(179-155-49-25-13-37-137(155)138-38-14-26-50-156(138)179)101-130(92-111)180-157-51-27-15-39-139(157)140-40-16-28-52-158(140)180)99-149(167)150-100-122(70-88-168(150)178)172(153-47-23-11-35-135(153)136-36-12-24-48-154(136)172)120-68-86-166-148(98-120)146-96-110(62-84-164(146)177(166)127-77-65-118(66-78-127)170(6,7)8)114-90-116(106-174-104-114)112-93-131(181-159-53-29-17-41-141(159)142-42-18-30-54-160(142)181)102-132(94-112)182-161-55-31-19-43-143(161)144-44-20-32-56-162(144)182/h9-106H,1-8H3
InChIKeyIUPBYUFJLDJHJC-UHFFFAOYSA-N
MW2328.94 g/mol
LogP44.23
Rot. Bonds18

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

N-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (PubChem CID 58151151) has the molecular formula C172H122N10 and a molecular weight of 2328.94 g/mol. Its IUPAC name is N-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
PubChem CID58151151
Molecular FormulaC172H122N10
Molecular Weight2328.94 g/mol
Exact Mass2326.99
IUPAC NameN-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(-n3c4ccc(C5(c6ccc7c(c6)c6cc(-c8cncc(-c9cc(-n%10c%11ccccc%11c%11ccccc%11%10)cc(-n%10c%11ccccc%11c%11ccccc%11%10)c9)c8)ccc6n7-c6ccc(C(C)(C)C)cc6)c6ccccc6-c6ccccc65)cc4c4cc(C5(c6ccc7c(c6)c6cc(-c8cncc(-c9cc(-n%10c%11ccccc%11c%11ccccc%11%10)cc(-n%10c%11ccccc%11c%11ccccc%11%10)c9)c8)ccc6n7-c6ccc(C(C)(C)C)cc6)c6ccccc6-c6ccccc65)ccc43)cc2)cc1
InChIInChI=1S/C172H122N10/c1-107-57-71-123(72-58-107)175(124-73-59-108(2)60-74-124)125-79-81-128(82-80-125)178-167-87-69-121(171(151-45-21-9-33-133(151)134-34-10-22-46-152(134)171)119-67-85-165-147(97-119)145-95-109(61-83-163(145)176(165)126-75-63-117(64-76-126)169(3,4)5)113-89-115(105-173-103-113)111-91-129(179-155-49-25-13-37-137(155)138-38-14-26-50-156(138)179)101-130(92-111)180-157-51-27-15-39-139(157)140-40-16-28-52-158(140)180)99-149(167)150-100-122(70-88-168(150)178)172(153-47-23-11-35-135(153)136-36-12-24-48-154(136)172)120-68-86-166-148(98-120)146-96-110(62-84-164(146)177(166)127-77-65-118(66-78-127)170(6,7)8)114-90-116(106-174-104-114)112-93-131(181-159-53-29-17-41-141(159)142-42-18-30-54-160(142)181)102-132(94-112)182-161-55-31-19-43-143(161)144-44-20-32-56-162(144)182/h9-106H,1-8H3
InChIKeyIUPBYUFJLDJHJC-UHFFFAOYSA-N
XLogP44.23
TPSA63.53 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms182
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002328.94
LogP ≤ 544.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze N-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]carbazol-3-yl]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-[9-(4-tert-butylphenyl)-6-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The IUPAC name of N-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (CID 58151151) is N-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]carbazol-3-yl]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-[9-(4-tert-butylphenyl)-6-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The canonical SMILES for N-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is Cc1ccc(N(c2ccc(C)cc2)c2ccc(-n3c4ccc(C5(c6ccc7c(c6)c6cc(-c8cncc(-c9cc(-n%10c%11ccccc%11c%11ccccc%11%10)cc(-n%10c%11ccccc%11c%11ccccc%11%10)c9)c8)ccc6n7-c6ccc(C(C)(C)C)cc6)c6ccccc6-c6ccccc65)cc4c4cc(C5(c6ccc7c(c6)c6cc(-c8cncc(-c9cc(-n%10c%11ccccc%11c%11ccccc%11%10)cc(-n%10c%11ccccc%11c%11ccccc%11%10)c9)c8)ccc6n7-c6ccc(C(C)(C)C)cc6)c6ccccc6-c6ccccc65)ccc43)cc2)cc1.
What is the InChIKey of N-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The InChIKey is IUPBYUFJLDJHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C172H122N10/c1-107-57-71-123(72-58-107)175(124-73-59-108(2)60-74-124)125-79-81-128(82-80-125)178-167-87-69-121(171(151-45-21-9-33-133(151)134-34-10-22-46-152(134)171)119-67-85-165-147(97-119)145-95-109(61-83-163(145)176(165)126-75-63-117(64-76-126)169(3,4)5)113-89-115(105-173-103-113)111-91-129(179-155-49-25-13-37-137(155)138-38-14-26-50-156(138)179)101-130(92-111)180-157-51-27-15-39-139(157)140-40-16-28-52-158(140)180)99-149(167)150-100-122(70-88-168(150)178)172(153-47-23-11-35-135(153)136-36-12-24-48-154(136)172)120-68-86-166-148(98-120)146-96-110(62-84-164(146)177(166)127-77-65-118(66-78-127)170(6,7)8)114-90-116(106-174-104-114)112-93-131(181-159-53-29-17-41-141(159)142-42-18-30-54-160(142)181)102-132(94-112)182-161-55-31-19-43-143(161)144-44-20-32-56-162(144)182/h9-106H,1-8H3.
What are the key properties of N-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
N-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline has a molecular weight of 2328.94 g/mol, XLogP of 44.23, 18 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-[9-(4-tert-butylphenyl)-6-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is sourced from PubChem (CID 58151151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).