N-methyl-2-[N-[2-[3-[9-phenyl-7-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazol-9-yl]pent-4-enyl]-C-[4-[3-[9-phenyl-7-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazol-9-yl]phenyl]carbonimidoyl]-4-[4-[3-[9-phenyl-7-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazol-9-yl]phenyl]aniline

C169H113N11 — CID 138625280

IUPACN-methyl-2-[N-[2-[3-[9-phenyl-7-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazol-9-yl]pent-4-enyl]-C-[4-[3-[9-phenyl-7-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazol-9-yl]phenyl]carbonimidoyl]-4-[4-[3-[9-phenyl-7-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazol-9-yl]phenyl]aniline
SMILESC=CCC(C/N=C(\c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6n(-c6ccccc6)c5c4)ccc32)cc1)c1cc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7n(-c7ccccc7)c6c5)ccc43)cc2)ccc1NC)n1c2ccccc2c2cc(-c3ccc4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5n(-c5ccccc5)c4c3)ccc21
InChIInChI=1S/C169H113N11/c1-3-34-130(180-156-58-33-27-52-136(156)148-98-115(75-92-162(148)180)121-68-85-142-139-82-65-118(102-165(139)179(168(142)105-121)127-45-20-9-21-46-127)112-72-89-159-145(95-112)133-49-24-30-55-153(133)174(159)124-39-14-6-15-40-124)106-171-169(108-61-78-129(79-62-108)176-155-57-32-26-51-135(155)147-97-114(74-91-161(147)176)120-67-84-141-138-81-64-117(101-164(138)178(167(141)104-120)126-43-18-8-19-44-126)111-71-88-158-144(94-111)132-48-23-29-54-152(132)173(158)123-37-12-5-13-38-123)149-99-109(69-86-150(149)170-2)107-59-76-128(77-60-107)175-154-56-31-25-50-134(154)146-96-113(73-90-160(146)175)119-66-83-140-137-80-63-116(100-163(137)177(166(140)103-119)125-41-16-7-17-42-125)110-70-87-157-143(93-110)131-47-22-28-53-151(131)172(157)122-35-10-4-11-36-122/h3-33,35-105,130,170H,1,34,106H2,2H3/b171-169+
InChIKeyGNDBRXGMEUBWRO-JXGWYLIZSA-N
MW2297.84 g/mol
LogP43.94
Rot. Bonds23

About N-methyl-2-[N-[2-[3-[9-phenyl-7-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazol-9-yl]pent-4-enyl]-C-[4-[3-[9-phenyl-7-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazol-9-yl]phenyl]carbonimidoyl]-4-[4-[3-[9-phenyl-7-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazol-9-yl]phenyl]aniline

N-methyl-2-[N-[2-[3-[9-phenyl-7-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazol-9-yl]pent-4-enyl]-C-[4-[3-[9-phenyl-7-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazol-9-yl]phenyl]carbonimidoyl]-4-[4-[3-[9-phenyl-7-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazol-9-yl]phenyl]aniline (PubChem CID 138625280) has the molecular formula C169H113N11 and a molecular weight of 2297.84 g/mol. Its IUPAC name is N-methyl-2-[N-[2-[3-[9-phenyl-7-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazol-9-yl]pent-4-enyl]-C-[4-[3-[9-phenyl-7-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazol-9-yl]phenyl]carbonimidoyl]-4-[4-[3-[9-phenyl-7-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazol-9-yl]phenyl]aniline.

Molecular Properties

Compound NameN-methyl-2-[N-[2-[3-[9-phenyl-7-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazol-9-yl]pent-4-enyl]-C-[4-[3-[9-phenyl-7-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazol-9-yl]phenyl]carbonimidoyl]-4-[4-[3-[9-phenyl-7-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazol-9-yl]phenyl]aniline
PubChem CID138625280
Molecular FormulaC169H113N11
Molecular Weight2297.84 g/mol
Exact Mass2295.92
IUPAC NameN-methyl-2-[N-[2-[3-[9-phenyl-7-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazol-9-yl]pent-4-enyl]-C-[4-[3-[9-phenyl-7-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazol-9-yl]phenyl]carbonimidoyl]-4-[4-[3-[9-phenyl-7-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazol-9-yl]phenyl]aniline
SMILESC=CCC(C/N=C(\c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6n(-c6ccccc6)c5c4)ccc32)cc1)c1cc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7n(-c7ccccc7)c6c5)ccc43)cc2)ccc1NC)n1c2ccccc2c2cc(-c3ccc4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5n(-c5ccccc5)c4c3)ccc21
InChIInChI=1S/C169H113N11/c1-3-34-130(180-156-58-33-27-52-136(156)148-98-115(75-92-162(148)180)121-68-85-142-139-82-65-118(102-165(139)179(168(142)105-121)127-45-20-9-21-46-127)112-72-89-159-145(95-112)133-49-24-30-55-153(133)174(159)124-39-14-6-15-40-124)106-171-169(108-61-78-129(79-62-108)176-155-57-32-26-51-135(155)147-97-114(74-91-161(147)176)120-67-84-141-138-81-64-117(101-164(138)178(167(141)104-120)126-43-18-8-19-44-126)111-71-88-158-144(94-111)132-48-23-29-54-152(132)173(158)123-37-12-5-13-38-123)149-99-109(69-86-150(149)170-2)107-59-76-128(77-60-107)175-154-56-31-25-50-134(154)146-96-113(73-90-160(146)175)119-66-83-140-137-80-63-116(100-163(137)177(166(140)103-119)125-41-16-7-17-42-125)110-70-87-157-143(93-110)131-47-22-28-53-151(131)172(157)122-35-10-4-11-36-122/h3-33,35-105,130,170H,1,34,106H2,2H3/b171-169+
InChIKeyGNDBRXGMEUBWRO-JXGWYLIZSA-N
XLogP43.94
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds23
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002297.84
LogP ≤ 543.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-methyl-2-[N-[2-[3-[9-phenyl-7-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazol-9-yl]pent-4-enyl]-C-[4-[3-[9-phenyl-7-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazol-9-yl]phenyl]carbonimidoyl]-4-[4-[3-[9-phenyl-7-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazol-9-yl]phenyl]aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[N-[2-[3-[9-phenyl-7-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazol-9-yl]pent-4-enyl]-C-[4-[3-[9-phenyl-7-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazol-9-yl]phenyl]carbonimidoyl]-4-[4-[3-[9-phenyl-7-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazol-9-yl]phenyl]aniline?
The IUPAC name of N-methyl-2-[N-[2-[3-[9-phenyl-7-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazol-9-yl]pent-4-enyl]-C-[4-[3-[9-phenyl-7-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazol-9-yl]phenyl]carbonimidoyl]-4-[4-[3-[9-phenyl-7-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazol-9-yl]phenyl]aniline (CID 138625280) is N-methyl-2-[N-[2-[3-[9-phenyl-7-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazol-9-yl]pent-4-enyl]-C-[4-[3-[9-phenyl-7-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazol-9-yl]phenyl]carbonimidoyl]-4-[4-[3-[9-phenyl-7-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazol-9-yl]phenyl]aniline.
What is the SMILES notation for N-methyl-2-[N-[2-[3-[9-phenyl-7-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazol-9-yl]pent-4-enyl]-C-[4-[3-[9-phenyl-7-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazol-9-yl]phenyl]carbonimidoyl]-4-[4-[3-[9-phenyl-7-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazol-9-yl]phenyl]aniline?
The canonical SMILES for N-methyl-2-[N-[2-[3-[9-phenyl-7-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazol-9-yl]pent-4-enyl]-C-[4-[3-[9-phenyl-7-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazol-9-yl]phenyl]carbonimidoyl]-4-[4-[3-[9-phenyl-7-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazol-9-yl]phenyl]aniline is C=CCC(C/N=C(\c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6n(-c6ccccc6)c5c4)ccc32)cc1)c1cc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7n(-c7ccccc7)c6c5)ccc43)cc2)ccc1NC)n1c2ccccc2c2cc(-c3ccc4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5n(-c5ccccc5)c4c3)ccc21.
What is the InChIKey of N-methyl-2-[N-[2-[3-[9-phenyl-7-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazol-9-yl]pent-4-enyl]-C-[4-[3-[9-phenyl-7-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazol-9-yl]phenyl]carbonimidoyl]-4-[4-[3-[9-phenyl-7-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazol-9-yl]phenyl]aniline?
The InChIKey is GNDBRXGMEUBWRO-JXGWYLIZSA-N. The full InChI is InChI=1S/C169H113N11/c1-3-34-130(180-156-58-33-27-52-136(156)148-98-115(75-92-162(148)180)121-68-85-142-139-82-65-118(102-165(139)179(168(142)105-121)127-45-20-9-21-46-127)112-72-89-159-145(95-112)133-49-24-30-55-153(133)174(159)124-39-14-6-15-40-124)106-171-169(108-61-78-129(79-62-108)176-155-57-32-26-51-135(155)147-97-114(74-91-161(147)176)120-67-84-141-138-81-64-117(101-164(138)178(167(141)104-120)126-43-18-8-19-44-126)111-71-88-158-144(94-111)132-48-23-29-54-152(132)173(158)123-37-12-5-13-38-123)149-99-109(69-86-150(149)170-2)107-59-76-128(77-60-107)175-154-56-31-25-50-134(154)146-96-113(73-90-160(146)175)119-66-83-140-137-80-63-116(100-163(137)177(166(140)103-119)125-41-16-7-17-42-125)110-70-87-157-143(93-110)131-47-22-28-53-151(131)172(157)122-35-10-4-11-36-122/h3-33,35-105,130,170H,1,34,106H2,2H3/b171-169+.
What are the key properties of N-methyl-2-[N-[2-[3-[9-phenyl-7-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazol-9-yl]pent-4-enyl]-C-[4-[3-[9-phenyl-7-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazol-9-yl]phenyl]carbonimidoyl]-4-[4-[3-[9-phenyl-7-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazol-9-yl]phenyl]aniline?
N-methyl-2-[N-[2-[3-[9-phenyl-7-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazol-9-yl]pent-4-enyl]-C-[4-[3-[9-phenyl-7-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazol-9-yl]phenyl]carbonimidoyl]-4-[4-[3-[9-phenyl-7-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazol-9-yl]phenyl]aniline has a molecular weight of 2297.84 g/mol, XLogP of 43.94, 23 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[N-[2-[3-[9-phenyl-7-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazol-9-yl]pent-4-enyl]-C-[4-[3-[9-phenyl-7-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazol-9-yl]phenyl]carbonimidoyl]-4-[4-[3-[9-phenyl-7-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazol-9-yl]phenyl]aniline is sourced from PubChem (CID 138625280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).