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

C184H144N10 — CID 58151144

IUPAC4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-N,N-bis[4-[9-[4-[N-(4-tert-butylphenyl)-4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]anilino]phenyl]fluoren-9-yl]phenyl]aniline
SMILESCC(C)(C)c1ccc(N(c2ccc(-c3ccc(N(c4ccc(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)cc4)c4ccc(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)cc4)cc3)cc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C184H144N10/c1-179(2,3)131-69-93-143(94-70-131)187(144-95-71-132(72-96-144)180(4,5)6)139-85-61-121(62-86-139)122-63-87-140(88-64-122)190(149-105-81-137(82-106-149)183(167-49-25-13-37-155(167)156-38-14-26-50-168(156)183)135-77-101-147(102-78-135)188(145-97-73-133(74-98-145)181(7,8)9)141-89-65-123(66-90-141)127-109-129(119-185-117-127)125-111-151(191-171-53-29-17-41-159(171)160-42-18-30-54-172(160)191)115-152(112-125)192-173-55-31-19-43-161(173)162-44-20-32-56-174(162)192)150-107-83-138(84-108-150)184(169-51-27-15-39-157(169)158-40-16-28-52-170(158)184)136-79-103-148(104-80-136)189(146-99-75-134(76-100-146)182(10,11)12)142-91-67-124(68-92-142)128-110-130(120-186-118-128)126-113-153(193-175-57-33-21-45-163(175)164-46-22-34-58-176(164)193)116-154(114-126)194-177-59-35-23-47-165(177)166-48-24-36-60-178(166)194/h13-120H,1-12H3
InChIKeyRIUIXEVUTYKOSB-UHFFFAOYSA-N
MW2495.25 g/mol
LogP49.00
Rot. Bonds25

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

4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-N,N-bis[4-[9-[4-[N-(4-tert-butylphenyl)-4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]anilino]phenyl]fluoren-9-yl]phenyl]aniline (PubChem CID 58151144) has the molecular formula C184H144N10 and a molecular weight of 2495.25 g/mol. Its IUPAC name is 4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-N,N-bis[4-[9-[4-[N-(4-tert-butylphenyl)-4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]anilino]phenyl]fluoren-9-yl]phenyl]aniline.

Molecular Properties

Compound Name4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-N,N-bis[4-[9-[4-[N-(4-tert-butylphenyl)-4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]anilino]phenyl]fluoren-9-yl]phenyl]aniline
PubChem CID58151144
Molecular FormulaC184H144N10
Molecular Weight2495.25 g/mol
Exact Mass2493.16
IUPAC Name4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-N,N-bis[4-[9-[4-[N-(4-tert-butylphenyl)-4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]anilino]phenyl]fluoren-9-yl]phenyl]aniline
SMILESCC(C)(C)c1ccc(N(c2ccc(-c3ccc(N(c4ccc(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)cc4)c4ccc(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)cc4)cc3)cc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C184H144N10/c1-179(2,3)131-69-93-143(94-70-131)187(144-95-71-132(72-96-144)180(4,5)6)139-85-61-121(62-86-139)122-63-87-140(88-64-122)190(149-105-81-137(82-106-149)183(167-49-25-13-37-155(167)156-38-14-26-50-168(156)183)135-77-101-147(102-78-135)188(145-97-73-133(74-98-145)181(7,8)9)141-89-65-123(66-90-141)127-109-129(119-185-117-127)125-111-151(191-171-53-29-17-41-159(171)160-42-18-30-54-172(160)191)115-152(112-125)192-173-55-31-19-43-161(173)162-44-20-32-56-174(162)192)150-107-83-138(84-108-150)184(169-51-27-15-39-157(169)158-40-16-28-52-170(158)184)136-79-103-148(104-80-136)189(146-99-75-134(76-100-146)182(10,11)12)142-91-67-124(68-92-142)128-110-130(120-186-118-128)126-113-153(193-175-57-33-21-45-163(175)164-46-22-34-58-176(164)193)116-154(114-126)194-177-59-35-23-47-165(177)166-48-24-36-60-178(166)194/h13-120H,1-12H3
InChIKeyRIUIXEVUTYKOSB-UHFFFAOYSA-N
XLogP49.00
TPSA58.46 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds25
Heavy Atoms194
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002495.25
LogP ≤ 549.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-N,N-bis[4-[9-[4-[N-(4-tert-butylphenyl)-4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]anilino]phenyl]fluoren-9-yl]phenyl]aniline?
The IUPAC name of 4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-N,N-bis[4-[9-[4-[N-(4-tert-butylphenyl)-4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]anilino]phenyl]fluoren-9-yl]phenyl]aniline (CID 58151144) is 4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-N,N-bis[4-[9-[4-[N-(4-tert-butylphenyl)-4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]anilino]phenyl]fluoren-9-yl]phenyl]aniline.
What is the SMILES notation for 4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-N,N-bis[4-[9-[4-[N-(4-tert-butylphenyl)-4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]anilino]phenyl]fluoren-9-yl]phenyl]aniline?
The canonical SMILES for 4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-N,N-bis[4-[9-[4-[N-(4-tert-butylphenyl)-4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]anilino]phenyl]fluoren-9-yl]phenyl]aniline is CC(C)(C)c1ccc(N(c2ccc(-c3ccc(N(c4ccc(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)cc4)c4ccc(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)cc4)cc3)cc2)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-N,N-bis[4-[9-[4-[N-(4-tert-butylphenyl)-4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]anilino]phenyl]fluoren-9-yl]phenyl]aniline?
The InChIKey is RIUIXEVUTYKOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C184H144N10/c1-179(2,3)131-69-93-143(94-70-131)187(144-95-71-132(72-96-144)180(4,5)6)139-85-61-121(62-86-139)122-63-87-140(88-64-122)190(149-105-81-137(82-106-149)183(167-49-25-13-37-155(167)156-38-14-26-50-168(156)183)135-77-101-147(102-78-135)188(145-97-73-133(74-98-145)181(7,8)9)141-89-65-123(66-90-141)127-109-129(119-185-117-127)125-111-151(191-171-53-29-17-41-159(171)160-42-18-30-54-172(160)191)115-152(112-125)192-173-55-31-19-43-161(173)162-44-20-32-56-174(162)192)150-107-83-138(84-108-150)184(169-51-27-15-39-157(169)158-40-16-28-52-170(158)184)136-79-103-148(104-80-136)189(146-99-75-134(76-100-146)182(10,11)12)142-91-67-124(68-92-142)128-110-130(120-186-118-128)126-113-153(193-175-57-33-21-45-163(175)164-46-22-34-58-176(164)193)116-154(114-126)194-177-59-35-23-47-165(177)166-48-24-36-60-178(166)194/h13-120H,1-12H3.
What are the key properties of 4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-N,N-bis[4-[9-[4-[N-(4-tert-butylphenyl)-4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]anilino]phenyl]fluoren-9-yl]phenyl]aniline?
4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-N,N-bis[4-[9-[4-[N-(4-tert-butylphenyl)-4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]anilino]phenyl]fluoren-9-yl]phenyl]aniline has a molecular weight of 2495.25 g/mol, XLogP of 49.00, 25 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-N,N-bis[4-[9-[4-[N-(4-tert-butylphenyl)-4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]anilino]phenyl]fluoren-9-yl]phenyl]aniline is sourced from PubChem (CID 58151144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).