N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[9-[2-[9-phenyl-6-[4-(4-phenyl-N-[4-[9-phenyl-8-[2-[3-[4-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]carbazol-9-yl]phenyl]carbazol-3-yl]phenyl]anilino)phenyl]carbazol-1-yl]phenyl]carbazol-3-yl]phenyl]naphthalen-1-amine

C172H113N9 — CID 163615768

IUPACN-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[9-[2-[9-phenyl-6-[4-(4-phenyl-N-[4-[9-phenyl-8-[2-[3-[4-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]carbazol-9-yl]phenyl]carbazol-3-yl]phenyl]anilino)phenyl]carbazol-1-yl]phenyl]carbazol-3-yl]phenyl]naphthalen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4cccc(-c6ccccc6-n6c7ccccc7c7cc(-c8ccc(N(c9ccccc9)c9ccc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)cc9)cc8)ccc76)c4n5-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4cccc(-c6ccccc6-n6c7ccccc7c7cc(-c8ccc(N(c9ccc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)cc9)c9cccc%10ccccc9%10)cc8)ccc76)c4n5-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C172H113N9/c1-7-36-114(37-8-1)115-68-88-136(89-69-115)174(137-94-74-118(75-95-137)127-84-104-167-156(112-127)150-59-34-57-148(171(150)178(167)132-46-15-5-16-47-132)142-51-21-29-63-161(142)180-163-65-31-25-55-146(163)154-110-125(86-106-169(154)180)117-72-92-135(93-73-117)173(129-40-9-2-10-41-129)134-90-70-116(71-91-134)123-82-102-165-152(108-123)144-53-23-27-61-159(144)176(165)130-42-11-3-12-43-130)138-96-76-119(77-97-138)128-85-105-168-157(113-128)151-60-35-58-149(172(151)179(168)133-48-17-6-18-49-133)143-52-22-30-64-162(143)181-164-66-32-26-56-147(164)155-111-126(87-107-170(155)181)121-80-100-140(101-81-121)175(158-67-33-39-122-38-19-20-50-141(122)158)139-98-78-120(79-99-139)124-83-103-166-153(109-124)145-54-24-28-62-160(145)177(166)131-44-13-4-14-45-131/h1-113H
InChIKeyHJWYPVDXRXLSMA-UHFFFAOYSA-N
MW2305.86 g/mol
LogP46.83
Rot. Bonds24

About N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[9-[2-[9-phenyl-6-[4-(4-phenyl-N-[4-[9-phenyl-8-[2-[3-[4-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]carbazol-9-yl]phenyl]carbazol-3-yl]phenyl]anilino)phenyl]carbazol-1-yl]phenyl]carbazol-3-yl]phenyl]naphthalen-1-amine

N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[9-[2-[9-phenyl-6-[4-(4-phenyl-N-[4-[9-phenyl-8-[2-[3-[4-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]carbazol-9-yl]phenyl]carbazol-3-yl]phenyl]anilino)phenyl]carbazol-1-yl]phenyl]carbazol-3-yl]phenyl]naphthalen-1-amine (PubChem CID 163615768) has the molecular formula C172H113N9 and a molecular weight of 2305.86 g/mol. Its IUPAC name is N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[9-[2-[9-phenyl-6-[4-(4-phenyl-N-[4-[9-phenyl-8-[2-[3-[4-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]carbazol-9-yl]phenyl]carbazol-3-yl]phenyl]anilino)phenyl]carbazol-1-yl]phenyl]carbazol-3-yl]phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[9-[2-[9-phenyl-6-[4-(4-phenyl-N-[4-[9-phenyl-8-[2-[3-[4-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]carbazol-9-yl]phenyl]carbazol-3-yl]phenyl]anilino)phenyl]carbazol-1-yl]phenyl]carbazol-3-yl]phenyl]naphthalen-1-amine
PubChem CID163615768
Molecular FormulaC172H113N9
Molecular Weight2305.86 g/mol
Exact Mass2303.91
IUPAC NameN-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[9-[2-[9-phenyl-6-[4-(4-phenyl-N-[4-[9-phenyl-8-[2-[3-[4-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]carbazol-9-yl]phenyl]carbazol-3-yl]phenyl]anilino)phenyl]carbazol-1-yl]phenyl]carbazol-3-yl]phenyl]naphthalen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4cccc(-c6ccccc6-n6c7ccccc7c7cc(-c8ccc(N(c9ccccc9)c9ccc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)cc9)cc8)ccc76)c4n5-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4cccc(-c6ccccc6-n6c7ccccc7c7cc(-c8ccc(N(c9ccc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)cc9)c9cccc%10ccccc9%10)cc8)ccc76)c4n5-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C172H113N9/c1-7-36-114(37-8-1)115-68-88-136(89-69-115)174(137-94-74-118(75-95-137)127-84-104-167-156(112-127)150-59-34-57-148(171(150)178(167)132-46-15-5-16-47-132)142-51-21-29-63-161(142)180-163-65-31-25-55-146(163)154-110-125(86-106-169(154)180)117-72-92-135(93-73-117)173(129-40-9-2-10-41-129)134-90-70-116(71-91-134)123-82-102-165-152(108-123)144-53-23-27-61-159(144)176(165)130-42-11-3-12-43-130)138-96-76-119(77-97-138)128-85-105-168-157(113-128)151-60-35-58-149(172(151)179(168)133-48-17-6-18-49-133)143-52-22-30-64-162(143)181-164-66-32-26-56-147(164)155-111-126(87-107-170(155)181)121-80-100-140(101-81-121)175(158-67-33-39-122-38-19-20-50-141(122)158)139-98-78-120(79-99-139)124-83-103-166-153(109-124)145-54-24-28-62-160(145)177(166)131-44-13-4-14-45-131/h1-113H
InChIKeyHJWYPVDXRXLSMA-UHFFFAOYSA-N
XLogP46.83
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds24
Heavy Atoms181
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002305.86
LogP ≤ 546.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[9-[2-[9-phenyl-6-[4-(4-phenyl-N-[4-[9-phenyl-8-[2-[3-[4-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]carbazol-9-yl]phenyl]carbazol-3-yl]phenyl]anilino)phenyl]carbazol-1-yl]phenyl]carbazol-3-yl]phenyl]naphthalen-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[9-[2-[9-phenyl-6-[4-(4-phenyl-N-[4-[9-phenyl-8-[2-[3-[4-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]carbazol-9-yl]phenyl]carbazol-3-yl]phenyl]anilino)phenyl]carbazol-1-yl]phenyl]carbazol-3-yl]phenyl]naphthalen-1-amine?
The IUPAC name of N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[9-[2-[9-phenyl-6-[4-(4-phenyl-N-[4-[9-phenyl-8-[2-[3-[4-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]carbazol-9-yl]phenyl]carbazol-3-yl]phenyl]anilino)phenyl]carbazol-1-yl]phenyl]carbazol-3-yl]phenyl]naphthalen-1-amine (CID 163615768) is N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[9-[2-[9-phenyl-6-[4-(4-phenyl-N-[4-[9-phenyl-8-[2-[3-[4-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]carbazol-9-yl]phenyl]carbazol-3-yl]phenyl]anilino)phenyl]carbazol-1-yl]phenyl]carbazol-3-yl]phenyl]naphthalen-1-amine.
What is the SMILES notation for N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[9-[2-[9-phenyl-6-[4-(4-phenyl-N-[4-[9-phenyl-8-[2-[3-[4-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]carbazol-9-yl]phenyl]carbazol-3-yl]phenyl]anilino)phenyl]carbazol-1-yl]phenyl]carbazol-3-yl]phenyl]naphthalen-1-amine?
The canonical SMILES for N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[9-[2-[9-phenyl-6-[4-(4-phenyl-N-[4-[9-phenyl-8-[2-[3-[4-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]carbazol-9-yl]phenyl]carbazol-3-yl]phenyl]anilino)phenyl]carbazol-1-yl]phenyl]carbazol-3-yl]phenyl]naphthalen-1-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4cccc(-c6ccccc6-n6c7ccccc7c7cc(-c8ccc(N(c9ccccc9)c9ccc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)cc9)cc8)ccc76)c4n5-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4cccc(-c6ccccc6-n6c7ccccc7c7cc(-c8ccc(N(c9ccc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)cc9)c9cccc%10ccccc9%10)cc8)ccc76)c4n5-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[9-[2-[9-phenyl-6-[4-(4-phenyl-N-[4-[9-phenyl-8-[2-[3-[4-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]carbazol-9-yl]phenyl]carbazol-3-yl]phenyl]anilino)phenyl]carbazol-1-yl]phenyl]carbazol-3-yl]phenyl]naphthalen-1-amine?
The InChIKey is HJWYPVDXRXLSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C172H113N9/c1-7-36-114(37-8-1)115-68-88-136(89-69-115)174(137-94-74-118(75-95-137)127-84-104-167-156(112-127)150-59-34-57-148(171(150)178(167)132-46-15-5-16-47-132)142-51-21-29-63-161(142)180-163-65-31-25-55-146(163)154-110-125(86-106-169(154)180)117-72-92-135(93-73-117)173(129-40-9-2-10-41-129)134-90-70-116(71-91-134)123-82-102-165-152(108-123)144-53-23-27-61-159(144)176(165)130-42-11-3-12-43-130)138-96-76-119(77-97-138)128-85-105-168-157(113-128)151-60-35-58-149(172(151)179(168)133-48-17-6-18-49-133)143-52-22-30-64-162(143)181-164-66-32-26-56-147(164)155-111-126(87-107-170(155)181)121-80-100-140(101-81-121)175(158-67-33-39-122-38-19-20-50-141(122)158)139-98-78-120(79-99-139)124-83-103-166-153(109-124)145-54-24-28-62-160(145)177(166)131-44-13-4-14-45-131/h1-113H.
What are the key properties of N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[9-[2-[9-phenyl-6-[4-(4-phenyl-N-[4-[9-phenyl-8-[2-[3-[4-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]carbazol-9-yl]phenyl]carbazol-3-yl]phenyl]anilino)phenyl]carbazol-1-yl]phenyl]carbazol-3-yl]phenyl]naphthalen-1-amine?
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[9-[2-[9-phenyl-6-[4-(4-phenyl-N-[4-[9-phenyl-8-[2-[3-[4-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]carbazol-9-yl]phenyl]carbazol-3-yl]phenyl]anilino)phenyl]carbazol-1-yl]phenyl]carbazol-3-yl]phenyl]naphthalen-1-amine has a molecular weight of 2305.86 g/mol, XLogP of 46.83, 24 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[9-[2-[9-phenyl-6-[4-(4-phenyl-N-[4-[9-phenyl-8-[2-[3-[4-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]carbazol-9-yl]phenyl]carbazol-3-yl]phenyl]anilino)phenyl]carbazol-1-yl]phenyl]carbazol-3-yl]phenyl]naphthalen-1-amine is sourced from PubChem (CID 163615768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).