1-[9-methyl-9-[[7-[3-[4-[10-[7-[3-[6-(1-phenylbenzo[b]carbazol-5-yl)naphthalen-2-yl]quinoxalin-2-yl]dibenzothiophen-3-yl]benzo[b]carbazol-5-yl]naphthalen-2-yl]quinoxalin-2-yl]dibenzofuran-4-yl]methyl]fluoren-2-yl]-5-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole

C153H91N9OS — CID 146539894

IUPAC1-[9-methyl-9-[[7-[3-[4-[10-[7-[3-[6-(1-phenylbenzo[b]carbazol-5-yl)naphthalen-2-yl]quinoxalin-2-yl]dibenzothiophen-3-yl]benzo[b]carbazol-5-yl]naphthalen-2-yl]quinoxalin-2-yl]dibenzofuran-4-yl]methyl]fluoren-2-yl]-5-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole
SMILESCC1(Cc2cccc3c2oc2cc(-c4nc5ccccc5nc4-c4cc(-n5c6ccccc6c6cc7c(-c8ccc9c(c8)sc8cc(-c%10nc%11ccccc%11nc%10-c%10ccc%11cc(-n%12c%13cc%14ccccc%14cc%13c%13c(-c%14ccccc%14)cccc%13%12)ccc%11c%10)ccc89)cccc7cc65)c5ccccc5c4)ccc23)c2ccccc2-c2ccc(-c3cccc4c3c3cc5ccccc5cc3n4-c3ccc(-c4nc5ccccc5nc4-c4ccc5ccccc5c4)cc3)cc21
InChIInChI=1S/C153H91N9OS/c1-153(126-45-15-13-39-115(126)116-69-62-101(79-127(116)153)114-43-26-53-135-145(114)124-77-93-31-7-9-33-95(93)80-139(124)160(135)109-66-59-91(60-67-109)146-147(155-129-47-17-16-46-128(129)154-146)103-57-55-89-27-5-6-30-92(89)73-103)88-107-37-24-44-121-118-70-64-105(84-141(118)163-152(107)121)149-151(159-133-51-21-20-50-132(133)157-149)108-75-99-35-11-12-38-112(99)137(83-108)162-134-52-22-14-40-117(134)123-87-122-100(82-138(123)162)36-23-41-111(122)102-63-71-119-120-72-65-106(86-143(120)164-142(119)85-102)150-148(156-130-48-18-19-49-131(130)158-150)104-58-56-98-76-110(68-61-97(98)74-104)161-136-54-25-42-113(90-28-3-2-4-29-90)144(136)125-78-94-32-8-10-34-96(94)81-140(125)161/h2-87H,88H2,1H3
InChIKeyXENFVZOIAUQUOU-UHFFFAOYSA-N
MW2103.54 g/mol
LogP40.53
Rot. Bonds14

About 1-[9-methyl-9-[[7-[3-[4-[10-[7-[3-[6-(1-phenylbenzo[b]carbazol-5-yl)naphthalen-2-yl]quinoxalin-2-yl]dibenzothiophen-3-yl]benzo[b]carbazol-5-yl]naphthalen-2-yl]quinoxalin-2-yl]dibenzofuran-4-yl]methyl]fluoren-2-yl]-5-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole

1-[9-methyl-9-[[7-[3-[4-[10-[7-[3-[6-(1-phenylbenzo[b]carbazol-5-yl)naphthalen-2-yl]quinoxalin-2-yl]dibenzothiophen-3-yl]benzo[b]carbazol-5-yl]naphthalen-2-yl]quinoxalin-2-yl]dibenzofuran-4-yl]methyl]fluoren-2-yl]-5-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole (PubChem CID 146539894) has the molecular formula C153H91N9OS and a molecular weight of 2103.54 g/mol. Its IUPAC name is 1-[9-methyl-9-[[7-[3-[4-[10-[7-[3-[6-(1-phenylbenzo[b]carbazol-5-yl)naphthalen-2-yl]quinoxalin-2-yl]dibenzothiophen-3-yl]benzo[b]carbazol-5-yl]naphthalen-2-yl]quinoxalin-2-yl]dibenzofuran-4-yl]methyl]fluoren-2-yl]-5-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole.

Molecular Properties

Compound Name1-[9-methyl-9-[[7-[3-[4-[10-[7-[3-[6-(1-phenylbenzo[b]carbazol-5-yl)naphthalen-2-yl]quinoxalin-2-yl]dibenzothiophen-3-yl]benzo[b]carbazol-5-yl]naphthalen-2-yl]quinoxalin-2-yl]dibenzofuran-4-yl]methyl]fluoren-2-yl]-5-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole
PubChem CID146539894
Molecular FormulaC153H91N9OS
Molecular Weight2103.54 g/mol
Exact Mass2101.71
IUPAC Name1-[9-methyl-9-[[7-[3-[4-[10-[7-[3-[6-(1-phenylbenzo[b]carbazol-5-yl)naphthalen-2-yl]quinoxalin-2-yl]dibenzothiophen-3-yl]benzo[b]carbazol-5-yl]naphthalen-2-yl]quinoxalin-2-yl]dibenzofuran-4-yl]methyl]fluoren-2-yl]-5-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole
SMILESCC1(Cc2cccc3c2oc2cc(-c4nc5ccccc5nc4-c4cc(-n5c6ccccc6c6cc7c(-c8ccc9c(c8)sc8cc(-c%10nc%11ccccc%11nc%10-c%10ccc%11cc(-n%12c%13cc%14ccccc%14cc%13c%13c(-c%14ccccc%14)cccc%13%12)ccc%11c%10)ccc89)cccc7cc65)c5ccccc5c4)ccc23)c2ccccc2-c2ccc(-c3cccc4c3c3cc5ccccc5cc3n4-c3ccc(-c4nc5ccccc5nc4-c4ccc5ccccc5c4)cc3)cc21
InChIInChI=1S/C153H91N9OS/c1-153(126-45-15-13-39-115(126)116-69-62-101(79-127(116)153)114-43-26-53-135-145(114)124-77-93-31-7-9-33-95(93)80-139(124)160(135)109-66-59-91(60-67-109)146-147(155-129-47-17-16-46-128(129)154-146)103-57-55-89-27-5-6-30-92(89)73-103)88-107-37-24-44-121-118-70-64-105(84-141(118)163-152(107)121)149-151(159-133-51-21-20-50-132(133)157-149)108-75-99-35-11-12-38-112(99)137(83-108)162-134-52-22-14-40-117(134)123-87-122-100(82-138(123)162)36-23-41-111(122)102-63-71-119-120-72-65-106(86-143(120)164-142(119)85-102)150-148(156-130-48-18-19-49-131(130)158-150)104-58-56-98-76-110(68-61-97(98)74-104)161-136-54-25-42-113(90-28-3-2-4-29-90)144(136)125-78-94-32-8-10-34-96(94)81-140(125)161/h2-87H,88H2,1H3
InChIKeyXENFVZOIAUQUOU-UHFFFAOYSA-N
XLogP40.53
TPSA105.27 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002103.54
LogP ≤ 540.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 1-[9-methyl-9-[[7-[3-[4-[10-[7-[3-[6-(1-phenylbenzo[b]carbazol-5-yl)naphthalen-2-yl]quinoxalin-2-yl]dibenzothiophen-3-yl]benzo[b]carbazol-5-yl]naphthalen-2-yl]quinoxalin-2-yl]dibenzofuran-4-yl]methyl]fluoren-2-yl]-5-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[9-methyl-9-[[7-[3-[4-[10-[7-[3-[6-(1-phenylbenzo[b]carbazol-5-yl)naphthalen-2-yl]quinoxalin-2-yl]dibenzothiophen-3-yl]benzo[b]carbazol-5-yl]naphthalen-2-yl]quinoxalin-2-yl]dibenzofuran-4-yl]methyl]fluoren-2-yl]-5-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole?
The IUPAC name of 1-[9-methyl-9-[[7-[3-[4-[10-[7-[3-[6-(1-phenylbenzo[b]carbazol-5-yl)naphthalen-2-yl]quinoxalin-2-yl]dibenzothiophen-3-yl]benzo[b]carbazol-5-yl]naphthalen-2-yl]quinoxalin-2-yl]dibenzofuran-4-yl]methyl]fluoren-2-yl]-5-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole (CID 146539894) is 1-[9-methyl-9-[[7-[3-[4-[10-[7-[3-[6-(1-phenylbenzo[b]carbazol-5-yl)naphthalen-2-yl]quinoxalin-2-yl]dibenzothiophen-3-yl]benzo[b]carbazol-5-yl]naphthalen-2-yl]quinoxalin-2-yl]dibenzofuran-4-yl]methyl]fluoren-2-yl]-5-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole.
What is the SMILES notation for 1-[9-methyl-9-[[7-[3-[4-[10-[7-[3-[6-(1-phenylbenzo[b]carbazol-5-yl)naphthalen-2-yl]quinoxalin-2-yl]dibenzothiophen-3-yl]benzo[b]carbazol-5-yl]naphthalen-2-yl]quinoxalin-2-yl]dibenzofuran-4-yl]methyl]fluoren-2-yl]-5-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole?
The canonical SMILES for 1-[9-methyl-9-[[7-[3-[4-[10-[7-[3-[6-(1-phenylbenzo[b]carbazol-5-yl)naphthalen-2-yl]quinoxalin-2-yl]dibenzothiophen-3-yl]benzo[b]carbazol-5-yl]naphthalen-2-yl]quinoxalin-2-yl]dibenzofuran-4-yl]methyl]fluoren-2-yl]-5-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole is CC1(Cc2cccc3c2oc2cc(-c4nc5ccccc5nc4-c4cc(-n5c6ccccc6c6cc7c(-c8ccc9c(c8)sc8cc(-c%10nc%11ccccc%11nc%10-c%10ccc%11cc(-n%12c%13cc%14ccccc%14cc%13c%13c(-c%14ccccc%14)cccc%13%12)ccc%11c%10)ccc89)cccc7cc65)c5ccccc5c4)ccc23)c2ccccc2-c2ccc(-c3cccc4c3c3cc5ccccc5cc3n4-c3ccc(-c4nc5ccccc5nc4-c4ccc5ccccc5c4)cc3)cc21.
What is the InChIKey of 1-[9-methyl-9-[[7-[3-[4-[10-[7-[3-[6-(1-phenylbenzo[b]carbazol-5-yl)naphthalen-2-yl]quinoxalin-2-yl]dibenzothiophen-3-yl]benzo[b]carbazol-5-yl]naphthalen-2-yl]quinoxalin-2-yl]dibenzofuran-4-yl]methyl]fluoren-2-yl]-5-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole?
The InChIKey is XENFVZOIAUQUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C153H91N9OS/c1-153(126-45-15-13-39-115(126)116-69-62-101(79-127(116)153)114-43-26-53-135-145(114)124-77-93-31-7-9-33-95(93)80-139(124)160(135)109-66-59-91(60-67-109)146-147(155-129-47-17-16-46-128(129)154-146)103-57-55-89-27-5-6-30-92(89)73-103)88-107-37-24-44-121-118-70-64-105(84-141(118)163-152(107)121)149-151(159-133-51-21-20-50-132(133)157-149)108-75-99-35-11-12-38-112(99)137(83-108)162-134-52-22-14-40-117(134)123-87-122-100(82-138(123)162)36-23-41-111(122)102-63-71-119-120-72-65-106(86-143(120)164-142(119)85-102)150-148(156-130-48-18-19-49-131(130)158-150)104-58-56-98-76-110(68-61-97(98)74-104)161-136-54-25-42-113(90-28-3-2-4-29-90)144(136)125-78-94-32-8-10-34-96(94)81-140(125)161/h2-87H,88H2,1H3.
What are the key properties of 1-[9-methyl-9-[[7-[3-[4-[10-[7-[3-[6-(1-phenylbenzo[b]carbazol-5-yl)naphthalen-2-yl]quinoxalin-2-yl]dibenzothiophen-3-yl]benzo[b]carbazol-5-yl]naphthalen-2-yl]quinoxalin-2-yl]dibenzofuran-4-yl]methyl]fluoren-2-yl]-5-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole?
1-[9-methyl-9-[[7-[3-[4-[10-[7-[3-[6-(1-phenylbenzo[b]carbazol-5-yl)naphthalen-2-yl]quinoxalin-2-yl]dibenzothiophen-3-yl]benzo[b]carbazol-5-yl]naphthalen-2-yl]quinoxalin-2-yl]dibenzofuran-4-yl]methyl]fluoren-2-yl]-5-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole has a molecular weight of 2103.54 g/mol, XLogP of 40.53, 14 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-methyl-9-[[7-[3-[4-[10-[7-[3-[6-(1-phenylbenzo[b]carbazol-5-yl)naphthalen-2-yl]quinoxalin-2-yl]dibenzothiophen-3-yl]benzo[b]carbazol-5-yl]naphthalen-2-yl]quinoxalin-2-yl]dibenzofuran-4-yl]methyl]fluoren-2-yl]-5-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole is sourced from PubChem (CID 146539894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).