9-[4-[2,6-bis[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]naphthalen-1-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole

C158H97N11 — CID 126630673

IUPAC9-[4-[2,6-bis[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]naphthalen-1-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4cc(-c5ccc(-n6c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)c6ccccc56)nc(-n5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)n4)ccc32)cc1
InChIInChI=1S/C158H97N11/c1-7-33-110(34-8-1)161-138-53-27-21-47-119(138)125-85-98(59-72-145(125)161)104-65-78-151-131(91-104)132-92-105(99-60-73-146-126(86-99)120-48-22-28-54-139(120)162(146)111-35-9-2-10-36-111)66-79-152(132)167(151)144-84-71-117(116-45-19-20-46-118(116)144)137-97-157(168-153-80-67-106(100-61-74-147-127(87-100)121-49-23-29-55-140(121)163(147)112-37-11-3-12-38-112)93-133(153)134-94-107(68-81-154(134)168)101-62-75-148-128(88-101)122-50-24-30-56-141(122)164(148)113-39-13-4-14-40-113)160-158(159-137)169-155-82-69-108(102-63-76-149-129(89-102)123-51-25-31-57-142(123)165(149)114-41-15-5-16-42-114)95-135(155)136-96-109(70-83-156(136)169)103-64-77-150-130(90-103)124-52-26-32-58-143(124)166(150)115-43-17-6-18-44-115/h1-97H
InChIKeyYCYYTJABWWKHJN-UHFFFAOYSA-N
MW2149.59 g/mol
LogP41.17
Rot. Bonds16

About 9-[4-[2,6-bis[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]naphthalen-1-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole

9-[4-[2,6-bis[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]naphthalen-1-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole (PubChem CID 126630673) has the molecular formula C158H97N11 and a molecular weight of 2149.59 g/mol. Its IUPAC name is 9-[4-[2,6-bis[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]naphthalen-1-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name9-[4-[2,6-bis[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]naphthalen-1-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
PubChem CID126630673
Molecular FormulaC158H97N11
Molecular Weight2149.59 g/mol
Exact Mass2147.79
IUPAC Name9-[4-[2,6-bis[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]naphthalen-1-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4cc(-c5ccc(-n6c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)c6ccccc56)nc(-n5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)n4)ccc32)cc1
InChIInChI=1S/C158H97N11/c1-7-33-110(34-8-1)161-138-53-27-21-47-119(138)125-85-98(59-72-145(125)161)104-65-78-151-131(91-104)132-92-105(99-60-73-146-126(86-99)120-48-22-28-54-139(120)162(146)111-35-9-2-10-36-111)66-79-152(132)167(151)144-84-71-117(116-45-19-20-46-118(116)144)137-97-157(168-153-80-67-106(100-61-74-147-127(87-100)121-49-23-29-55-140(121)163(147)112-37-11-3-12-38-112)93-133(153)134-94-107(68-81-154(134)168)101-62-75-148-128(88-101)122-50-24-30-56-141(122)164(148)113-39-13-4-14-40-113)160-158(159-137)169-155-82-69-108(102-63-76-149-129(89-102)123-51-25-31-57-142(123)165(149)114-41-15-5-16-42-114)95-135(155)136-96-109(70-83-156(136)169)103-64-77-150-130(90-103)124-52-26-32-58-143(124)166(150)115-43-17-6-18-44-115/h1-97H
InChIKeyYCYYTJABWWKHJN-UHFFFAOYSA-N
XLogP41.17
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds16
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002149.59
LogP ≤ 541.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Related Compounds

3-(9-phenylcarbazol-3-yl)-9-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2-phenylphenyl)pyrimidin-2-yl]carbazole
CID 134236891
3-[3-carbazol-9-yl-2-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 171578191
9-[7-[2,6-bis[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126630678
9-[2,6-bis[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]pyrimidin-4-yl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole;9-[4,6-bis[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole
CID 158402871
3-[9-[4-(2,6-diphenylphenyl)-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 134236901
9-[2-carbazol-9-yl-6-(2,4-diphenylphenyl)pyrimidin-4-yl]carbazole
CID 169021296
3-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 159623630
9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazole;9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazole;2-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 158761095
9-[2-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126632665
3-(9-phenylcarbazol-3-yl)-9-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-19-yl)pyrimidin-2-yl]carbazole
CID 118259382
9-[4-carbazol-9-yl-6-(6-carbazol-9-yl-3-pyridinyl)pyrimidin-2-yl]carbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 160665734
3-[9-(2,5-diphenylphenyl)carbazol-3-yl]-9-[4-[3-[3-[9-(2,5-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]carbazole
CID 134237041

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2,6-bis[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]naphthalen-1-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole?
The IUPAC name of 9-[4-[2,6-bis[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]naphthalen-1-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole (CID 126630673) is 9-[4-[2,6-bis[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]naphthalen-1-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole.
What is the SMILES notation for 9-[4-[2,6-bis[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]naphthalen-1-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole?
The canonical SMILES for 9-[4-[2,6-bis[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]naphthalen-1-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4cc(-c5ccc(-n6c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)c6ccccc56)nc(-n5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)n4)ccc32)cc1.
What is the InChIKey of 9-[4-[2,6-bis[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]naphthalen-1-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole?
The InChIKey is YCYYTJABWWKHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C158H97N11/c1-7-33-110(34-8-1)161-138-53-27-21-47-119(138)125-85-98(59-72-145(125)161)104-65-78-151-131(91-104)132-92-105(99-60-73-146-126(86-99)120-48-22-28-54-139(120)162(146)111-35-9-2-10-36-111)66-79-152(132)167(151)144-84-71-117(116-45-19-20-46-118(116)144)137-97-157(168-153-80-67-106(100-61-74-147-127(87-100)121-49-23-29-55-140(121)163(147)112-37-11-3-12-38-112)93-133(153)134-94-107(68-81-154(134)168)101-62-75-148-128(88-101)122-50-24-30-56-141(122)164(148)113-39-13-4-14-40-113)160-158(159-137)169-155-82-69-108(102-63-76-149-129(89-102)123-51-25-31-57-142(123)165(149)114-41-15-5-16-42-114)95-135(155)136-96-109(70-83-156(136)169)103-64-77-150-130(90-103)124-52-26-32-58-143(124)166(150)115-43-17-6-18-44-115/h1-97H.
What are the key properties of 9-[4-[2,6-bis[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]naphthalen-1-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole?
9-[4-[2,6-bis[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]naphthalen-1-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole has a molecular weight of 2149.59 g/mol, XLogP of 41.17, 16 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2,6-bis[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]naphthalen-1-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole is sourced from PubChem (CID 126630673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).