4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-N,N-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]aniline

C180H114N10 — CID 71493884

IUPAC4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-N,N-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]aniline
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc2n3-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-n6c7ccc(-c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8)cc7c7cc(-c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8)ccc76)cc5)cc4)c4ccc(-c5ccc(-n6c7ccc(-c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8)cc7c7cc(-c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8)ccc76)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C180H114N10/c1-13-37-163-145(25-1)146-26-2-14-38-164(146)182(163)136-91-61-121(62-92-136)127-73-103-175-157(109-127)158-110-128(122-63-93-137(94-64-122)183-165-39-15-3-27-147(165)148-28-4-16-40-166(148)183)74-104-176(158)188(175)142-85-55-118(56-86-142)115-49-79-133(80-50-115)181(134-81-51-116(52-82-134)119-57-87-143(88-58-119)189-177-105-75-129(123-65-95-138(96-66-123)184-167-41-17-5-29-149(167)150-30-6-18-42-168(150)184)111-159(177)160-112-130(76-106-178(160)189)124-67-97-139(98-68-124)185-169-43-19-7-31-151(169)152-32-8-20-44-170(152)185)135-83-53-117(54-84-135)120-59-89-144(90-60-120)190-179-107-77-131(125-69-99-140(100-70-125)186-171-45-21-9-33-153(171)154-34-10-22-46-172(154)186)113-161(179)162-114-132(78-108-180(162)190)126-71-101-141(102-72-126)187-173-47-23-11-35-155(173)156-36-12-24-48-174(156)187/h1-114H
InChIKeyHDDYYJAGWHLIQK-UHFFFAOYSA-N
MW2416.96 g/mol
LogP48.03
Rot. Bonds21

About 4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-N,N-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]aniline

4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-N,N-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]aniline (PubChem CID 71493884) has the molecular formula C180H114N10 and a molecular weight of 2416.96 g/mol. Its IUPAC name is 4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-N,N-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]aniline.

Molecular Properties

Compound Name4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-N,N-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]aniline
PubChem CID71493884
Molecular FormulaC180H114N10
Molecular Weight2416.96 g/mol
Exact Mass2414.92
IUPAC Name4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-N,N-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]aniline
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc2n3-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-n6c7ccc(-c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8)cc7c7cc(-c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8)ccc76)cc5)cc4)c4ccc(-c5ccc(-n6c7ccc(-c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8)cc7c7cc(-c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8)ccc76)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C180H114N10/c1-13-37-163-145(25-1)146-26-2-14-38-164(146)182(163)136-91-61-121(62-92-136)127-73-103-175-157(109-127)158-110-128(122-63-93-137(94-64-122)183-165-39-15-3-27-147(165)148-28-4-16-40-166(148)183)74-104-176(158)188(175)142-85-55-118(56-86-142)115-49-79-133(80-50-115)181(134-81-51-116(52-82-134)119-57-87-143(88-58-119)189-177-105-75-129(123-65-95-138(96-66-123)184-167-41-17-5-29-149(167)150-30-6-18-42-168(150)184)111-159(177)160-112-130(76-106-178(160)189)124-67-97-139(98-68-124)185-169-43-19-7-31-151(169)152-32-8-20-44-170(152)185)135-83-53-117(54-84-135)120-59-89-144(90-60-120)190-179-107-77-131(125-69-99-140(100-70-125)186-171-45-21-9-33-153(171)154-34-10-22-46-172(154)186)113-161(179)162-114-132(78-108-180(162)190)126-71-101-141(102-72-126)187-173-47-23-11-35-155(173)156-36-12-24-48-174(156)187/h1-114H
InChIKeyHDDYYJAGWHLIQK-UHFFFAOYSA-N
XLogP48.03
TPSA47.61 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds21
Heavy Atoms190
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002416.96
LogP ≤ 548.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-N,N-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-N,N-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]aniline?
The IUPAC name of 4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-N,N-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]aniline (CID 71493884) is 4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-N,N-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]aniline.
What is the SMILES notation for 4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-N,N-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]aniline?
The canonical SMILES for 4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-N,N-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]aniline is c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc2n3-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-n6c7ccc(-c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8)cc7c7cc(-c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8)ccc76)cc5)cc4)c4ccc(-c5ccc(-n6c7ccc(-c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8)cc7c7cc(-c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8)ccc76)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-N,N-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]aniline?
The InChIKey is HDDYYJAGWHLIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C180H114N10/c1-13-37-163-145(25-1)146-26-2-14-38-164(146)182(163)136-91-61-121(62-92-136)127-73-103-175-157(109-127)158-110-128(122-63-93-137(94-64-122)183-165-39-15-3-27-147(165)148-28-4-16-40-166(148)183)74-104-176(158)188(175)142-85-55-118(56-86-142)115-49-79-133(80-50-115)181(134-81-51-116(52-82-134)119-57-87-143(88-58-119)189-177-105-75-129(123-65-95-138(96-66-123)184-167-41-17-5-29-149(167)150-30-6-18-42-168(150)184)111-159(177)160-112-130(76-106-178(160)189)124-67-97-139(98-68-124)185-169-43-19-7-31-151(169)152-32-8-20-44-170(152)185)135-83-53-117(54-84-135)120-59-89-144(90-60-120)190-179-107-77-131(125-69-99-140(100-70-125)186-171-45-21-9-33-153(171)154-34-10-22-46-172(154)186)113-161(179)162-114-132(78-108-180(162)190)126-71-101-141(102-72-126)187-173-47-23-11-35-155(173)156-36-12-24-48-174(156)187/h1-114H.
What are the key properties of 4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-N,N-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]aniline?
4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-N,N-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]aniline has a molecular weight of 2416.96 g/mol, XLogP of 48.03, 21 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-N,N-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]aniline is sourced from PubChem (CID 71493884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).