2-[9-[3-[4-[3-[4-[3-[9-[3-[4-[3-[4-[3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole

C156H98N12 — CID 138458745

IUPAC2-[9-[3-[4-[3-[4-[3-[9-[3-[4-[3-[4-[3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7cccc(-c8cc(-c9ccccc9)nc(-c9cccc(-n%10c%11ccccc%11c%11ccc(-c%12ccc%13c(c%12)c%12ccccc%12n%13-c%12ccc(-c%13cccc(-c%14cc(-c%15ccccc%15)nc(-c%15cccc(-n%16c%17ccccc%17c%17cc(-c%18ccc%19c%20ccccc%20n(-c%20ccccc%20)c%19c%18)ccc%17%16)c%15)n%14)c%13)cc%12)cc%11%10)c9)n8)c7)cc6)ccc54)c3)n2)cc1
InChIInChI=1S/C156H98N12/c1-6-33-101(34-7-1)136-96-137(102-35-8-2-9-36-102)158-154(157-136)115-45-30-50-121(87-115)166-146-63-26-20-57-128(146)134-91-108(72-83-150(134)166)107-71-81-148-132(90-107)126-55-18-24-61-144(126)163(148)119-75-65-99(66-76-119)106-42-29-44-114(86-106)141-98-139(104-39-12-4-13-40-104)160-156(162-141)117-47-32-52-123(89-117)168-143-60-23-17-54-125(143)131-80-70-112(95-153(131)168)109-73-82-149-133(92-109)127-56-19-25-62-145(127)164(149)120-77-67-100(68-78-120)105-41-28-43-113(85-105)140-97-138(103-37-10-3-11-38-103)159-155(161-140)116-46-31-51-122(88-116)167-147-64-27-21-58-129(147)135-93-110(74-84-151(135)167)111-69-79-130-124-53-16-22-59-142(124)165(152(130)94-111)118-48-14-5-15-49-118/h1-98H
InChIKeyIPJKIWGYFKBLDP-UHFFFAOYSA-N
MW2140.58 g/mol
LogP39.98
Rot. Bonds20

About 2-[9-[3-[4-[3-[4-[3-[9-[3-[4-[3-[4-[3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole

2-[9-[3-[4-[3-[4-[3-[9-[3-[4-[3-[4-[3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole (PubChem CID 138458745) has the molecular formula C156H98N12 and a molecular weight of 2140.58 g/mol. Its IUPAC name is 2-[9-[3-[4-[3-[4-[3-[9-[3-[4-[3-[4-[3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[9-[3-[4-[3-[4-[3-[9-[3-[4-[3-[4-[3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
PubChem CID138458745
Molecular FormulaC156H98N12
Molecular Weight2140.58 g/mol
Exact Mass2138.80
IUPAC Name2-[9-[3-[4-[3-[4-[3-[9-[3-[4-[3-[4-[3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7cccc(-c8cc(-c9ccccc9)nc(-c9cccc(-n%10c%11ccccc%11c%11ccc(-c%12ccc%13c(c%12)c%12ccccc%12n%13-c%12ccc(-c%13cccc(-c%14cc(-c%15ccccc%15)nc(-c%15cccc(-n%16c%17ccccc%17c%17cc(-c%18ccc%19c%20ccccc%20n(-c%20ccccc%20)c%19c%18)ccc%17%16)c%15)n%14)c%13)cc%12)cc%11%10)c9)n8)c7)cc6)ccc54)c3)n2)cc1
InChIInChI=1S/C156H98N12/c1-6-33-101(34-7-1)136-96-137(102-35-8-2-9-36-102)158-154(157-136)115-45-30-50-121(87-115)166-146-63-26-20-57-128(146)134-91-108(72-83-150(134)166)107-71-81-148-132(90-107)126-55-18-24-61-144(126)163(148)119-75-65-99(66-76-119)106-42-29-44-114(86-106)141-98-139(104-39-12-4-13-40-104)160-156(162-141)117-47-32-52-123(89-117)168-143-60-23-17-54-125(143)131-80-70-112(95-153(131)168)109-73-82-149-133(92-109)127-56-19-25-62-145(127)164(149)120-77-67-100(68-78-120)105-41-28-43-113(85-105)140-97-138(103-37-10-3-11-38-103)159-155(161-140)116-46-31-51-122(88-116)167-147-64-27-21-58-129(147)135-93-110(74-84-151(135)167)111-69-79-130-124-53-16-22-59-142(124)165(152(130)94-111)118-48-14-5-15-49-118/h1-98H
InChIKeyIPJKIWGYFKBLDP-UHFFFAOYSA-N
XLogP39.98
TPSA106.92 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002140.58
LogP ≤ 539.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[9-[3-[4-[3-[4-[3-[9-[3-[4-[3-[4-[3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[9-[3-[4-[3-[4-[3-[9-[3-[4-[3-[4-[3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 2-[9-[3-[4-[3-[4-[3-[9-[3-[4-[3-[4-[3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole (CID 138458745) is 2-[9-[3-[4-[3-[4-[3-[9-[3-[4-[3-[4-[3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 2-[9-[3-[4-[3-[4-[3-[9-[3-[4-[3-[4-[3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 2-[9-[3-[4-[3-[4-[3-[9-[3-[4-[3-[4-[3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole is c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7cccc(-c8cc(-c9ccccc9)nc(-c9cccc(-n%10c%11ccccc%11c%11ccc(-c%12ccc%13c(c%12)c%12ccccc%12n%13-c%12ccc(-c%13cccc(-c%14cc(-c%15ccccc%15)nc(-c%15cccc(-n%16c%17ccccc%17c%17cc(-c%18ccc%19c%20ccccc%20n(-c%20ccccc%20)c%19c%18)ccc%17%16)c%15)n%14)c%13)cc%12)cc%11%10)c9)n8)c7)cc6)ccc54)c3)n2)cc1.
What is the InChIKey of 2-[9-[3-[4-[3-[4-[3-[9-[3-[4-[3-[4-[3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is IPJKIWGYFKBLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C156H98N12/c1-6-33-101(34-7-1)136-96-137(102-35-8-2-9-36-102)158-154(157-136)115-45-30-50-121(87-115)166-146-63-26-20-57-128(146)134-91-108(72-83-150(134)166)107-71-81-148-132(90-107)126-55-18-24-61-144(126)163(148)119-75-65-99(66-76-119)106-42-29-44-114(86-106)141-98-139(104-39-12-4-13-40-104)160-156(162-141)117-47-32-52-123(89-117)168-143-60-23-17-54-125(143)131-80-70-112(95-153(131)168)109-73-82-149-133(92-109)127-56-19-25-62-145(127)164(149)120-77-67-100(68-78-120)105-41-28-43-113(85-105)140-97-138(103-37-10-3-11-38-103)159-155(161-140)116-46-31-51-122(88-116)167-147-64-27-21-58-129(147)135-93-110(74-84-151(135)167)111-69-79-130-124-53-16-22-59-142(124)165(152(130)94-111)118-48-14-5-15-49-118/h1-98H.
What are the key properties of 2-[9-[3-[4-[3-[4-[3-[9-[3-[4-[3-[4-[3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole?
2-[9-[3-[4-[3-[4-[3-[9-[3-[4-[3-[4-[3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 2140.58 g/mol, XLogP of 39.98, 20 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[3-[4-[3-[4-[3-[9-[3-[4-[3-[4-[3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 138458745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).