N-[7-[4-[3,5-bis[4-[7-[(10-ethylphenoxazin-3-yl)-(9-phenylcarbazol-3-yl)amino]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-9H-fluoren-2-yl]-10-ethyl-N-(9-phenylcarbazol-3-yl)phenoxazin-3-amine

C163H119N9O3 — CID 58050780

IUPACN-[7-[4-[3,5-bis[4-[7-[(10-ethylphenoxazin-3-yl)-(9-phenylcarbazol-3-yl)amino]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-9H-fluoren-2-yl]-10-ethyl-N-(9-phenylcarbazol-3-yl)phenoxazin-3-amine
SMILESCCN1c2ccccc2Oc2cc(N(c3ccc4c(c3)Cc3cc(-c5ccc(-c6cc(-c7ccc(-c8ccc9c(c8)C(C)(C)c8cc(N(c%10ccc%11c(c%10)Oc%10ccccc%10N%11CC)c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)ccc8-9)cc7)cc(-c7ccc(-c8ccc9c(c8)C(C)(C)c8cc(N(c%10ccc%11c(c%10)Oc%10ccccc%10N%11CC)c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)ccc8-9)cc7)c6)cc5)ccc3-4)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21
InChIInChI=1S/C163H119N9O3/c1-8-164-150-44-26-29-47-156(150)173-159-99-125(71-83-153(159)164)167(120-68-80-147-137(94-120)134-38-20-23-41-144(134)170(147)116-32-14-11-15-33-116)119-65-77-129-115(91-119)90-114-86-108(62-74-128(114)129)102-50-56-105(57-51-102)111-87-112(106-58-52-103(53-59-106)109-63-75-130-132-78-66-123(97-142(132)162(4,5)140(130)92-109)168(126-72-84-154-160(100-126)174-157-48-30-27-45-151(157)165(154)9-2)121-69-81-148-138(95-121)135-39-21-24-42-145(135)171(148)117-34-16-12-17-35-117)89-113(88-111)107-60-54-104(55-61-107)110-64-76-131-133-79-67-124(98-143(133)163(6,7)141(131)93-110)169(127-73-85-155-161(101-127)175-158-49-31-28-46-152(158)166(155)10-3)122-70-82-149-139(96-122)136-40-22-25-43-146(136)172(149)118-36-18-13-19-37-118/h11-89,91-101H,8-10,90H2,1-7H3
InChIKeyGCEKUKXGUNTONN-UHFFFAOYSA-N
MW2251.80 g/mol
LogP44.36
Rot. Bonds21

About N-[7-[4-[3,5-bis[4-[7-[(10-ethylphenoxazin-3-yl)-(9-phenylcarbazol-3-yl)amino]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-9H-fluoren-2-yl]-10-ethyl-N-(9-phenylcarbazol-3-yl)phenoxazin-3-amine

N-[7-[4-[3,5-bis[4-[7-[(10-ethylphenoxazin-3-yl)-(9-phenylcarbazol-3-yl)amino]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-9H-fluoren-2-yl]-10-ethyl-N-(9-phenylcarbazol-3-yl)phenoxazin-3-amine (PubChem CID 58050780) has the molecular formula C163H119N9O3 and a molecular weight of 2251.80 g/mol. Its IUPAC name is N-[7-[4-[3,5-bis[4-[7-[(10-ethylphenoxazin-3-yl)-(9-phenylcarbazol-3-yl)amino]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-9H-fluoren-2-yl]-10-ethyl-N-(9-phenylcarbazol-3-yl)phenoxazin-3-amine.

Molecular Properties

Compound NameN-[7-[4-[3,5-bis[4-[7-[(10-ethylphenoxazin-3-yl)-(9-phenylcarbazol-3-yl)amino]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-9H-fluoren-2-yl]-10-ethyl-N-(9-phenylcarbazol-3-yl)phenoxazin-3-amine
PubChem CID58050780
Molecular FormulaC163H119N9O3
Molecular Weight2251.80 g/mol
Exact Mass2249.94
IUPAC NameN-[7-[4-[3,5-bis[4-[7-[(10-ethylphenoxazin-3-yl)-(9-phenylcarbazol-3-yl)amino]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-9H-fluoren-2-yl]-10-ethyl-N-(9-phenylcarbazol-3-yl)phenoxazin-3-amine
SMILESCCN1c2ccccc2Oc2cc(N(c3ccc4c(c3)Cc3cc(-c5ccc(-c6cc(-c7ccc(-c8ccc9c(c8)C(C)(C)c8cc(N(c%10ccc%11c(c%10)Oc%10ccccc%10N%11CC)c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)ccc8-9)cc7)cc(-c7ccc(-c8ccc9c(c8)C(C)(C)c8cc(N(c%10ccc%11c(c%10)Oc%10ccccc%10N%11CC)c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)ccc8-9)cc7)c6)cc5)ccc3-4)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21
InChIInChI=1S/C163H119N9O3/c1-8-164-150-44-26-29-47-156(150)173-159-99-125(71-83-153(159)164)167(120-68-80-147-137(94-120)134-38-20-23-41-144(134)170(147)116-32-14-11-15-33-116)119-65-77-129-115(91-119)90-114-86-108(62-74-128(114)129)102-50-56-105(57-51-102)111-87-112(106-58-52-103(53-59-106)109-63-75-130-132-78-66-123(97-142(132)162(4,5)140(130)92-109)168(126-72-84-154-160(100-126)174-157-48-30-27-45-151(157)165(154)9-2)121-69-81-148-138(95-121)135-39-21-24-42-145(135)171(148)117-34-16-12-17-35-117)89-113(88-111)107-60-54-104(55-61-107)110-64-76-131-133-79-67-124(98-143(133)163(6,7)141(131)93-110)169(127-73-85-155-161(101-127)175-158-49-31-28-46-152(158)166(155)10-3)122-70-82-149-139(96-122)136-40-22-25-43-146(136)172(149)118-36-18-13-19-37-118/h11-89,91-101H,8-10,90H2,1-7H3
InChIKeyGCEKUKXGUNTONN-UHFFFAOYSA-N
XLogP44.36
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds21
Heavy Atoms175
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002251.80
LogP ≤ 544.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_666_B(3)', 'substructure': 'N/A'}

Analyze N-[7-[4-[3,5-bis[4-[7-[(10-ethylphenoxazin-3-yl)-(9-phenylcarbazol-3-yl)amino]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-9H-fluoren-2-yl]-10-ethyl-N-(9-phenylcarbazol-3-yl)phenoxazin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[7-[4-[3,5-bis[4-[7-[(10-ethylphenoxazin-3-yl)-(9-phenylcarbazol-3-yl)amino]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-9H-fluoren-2-yl]-10-ethyl-N-(9-phenylcarbazol-3-yl)phenoxazin-3-amine?
The IUPAC name of N-[7-[4-[3,5-bis[4-[7-[(10-ethylphenoxazin-3-yl)-(9-phenylcarbazol-3-yl)amino]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-9H-fluoren-2-yl]-10-ethyl-N-(9-phenylcarbazol-3-yl)phenoxazin-3-amine (CID 58050780) is N-[7-[4-[3,5-bis[4-[7-[(10-ethylphenoxazin-3-yl)-(9-phenylcarbazol-3-yl)amino]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-9H-fluoren-2-yl]-10-ethyl-N-(9-phenylcarbazol-3-yl)phenoxazin-3-amine.
What is the SMILES notation for N-[7-[4-[3,5-bis[4-[7-[(10-ethylphenoxazin-3-yl)-(9-phenylcarbazol-3-yl)amino]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-9H-fluoren-2-yl]-10-ethyl-N-(9-phenylcarbazol-3-yl)phenoxazin-3-amine?
The canonical SMILES for N-[7-[4-[3,5-bis[4-[7-[(10-ethylphenoxazin-3-yl)-(9-phenylcarbazol-3-yl)amino]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-9H-fluoren-2-yl]-10-ethyl-N-(9-phenylcarbazol-3-yl)phenoxazin-3-amine is CCN1c2ccccc2Oc2cc(N(c3ccc4c(c3)Cc3cc(-c5ccc(-c6cc(-c7ccc(-c8ccc9c(c8)C(C)(C)c8cc(N(c%10ccc%11c(c%10)Oc%10ccccc%10N%11CC)c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)ccc8-9)cc7)cc(-c7ccc(-c8ccc9c(c8)C(C)(C)c8cc(N(c%10ccc%11c(c%10)Oc%10ccccc%10N%11CC)c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)ccc8-9)cc7)c6)cc5)ccc3-4)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21.
What is the InChIKey of N-[7-[4-[3,5-bis[4-[7-[(10-ethylphenoxazin-3-yl)-(9-phenylcarbazol-3-yl)amino]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-9H-fluoren-2-yl]-10-ethyl-N-(9-phenylcarbazol-3-yl)phenoxazin-3-amine?
The InChIKey is GCEKUKXGUNTONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C163H119N9O3/c1-8-164-150-44-26-29-47-156(150)173-159-99-125(71-83-153(159)164)167(120-68-80-147-137(94-120)134-38-20-23-41-144(134)170(147)116-32-14-11-15-33-116)119-65-77-129-115(91-119)90-114-86-108(62-74-128(114)129)102-50-56-105(57-51-102)111-87-112(106-58-52-103(53-59-106)109-63-75-130-132-78-66-123(97-142(132)162(4,5)140(130)92-109)168(126-72-84-154-160(100-126)174-157-48-30-27-45-151(157)165(154)9-2)121-69-81-148-138(95-121)135-39-21-24-42-145(135)171(148)117-34-16-12-17-35-117)89-113(88-111)107-60-54-104(55-61-107)110-64-76-131-133-79-67-124(98-143(133)163(6,7)141(131)93-110)169(127-73-85-155-161(101-127)175-158-49-31-28-46-152(158)166(155)10-3)122-70-82-149-139(96-122)136-40-22-25-43-146(136)172(149)118-36-18-13-19-37-118/h11-89,91-101H,8-10,90H2,1-7H3.
What are the key properties of N-[7-[4-[3,5-bis[4-[7-[(10-ethylphenoxazin-3-yl)-(9-phenylcarbazol-3-yl)amino]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-9H-fluoren-2-yl]-10-ethyl-N-(9-phenylcarbazol-3-yl)phenoxazin-3-amine?
N-[7-[4-[3,5-bis[4-[7-[(10-ethylphenoxazin-3-yl)-(9-phenylcarbazol-3-yl)amino]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-9H-fluoren-2-yl]-10-ethyl-N-(9-phenylcarbazol-3-yl)phenoxazin-3-amine has a molecular weight of 2251.80 g/mol, XLogP of 44.36, 21 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[4-[3,5-bis[4-[7-[(10-ethylphenoxazin-3-yl)-(9-phenylcarbazol-3-yl)amino]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-9H-fluoren-2-yl]-10-ethyl-N-(9-phenylcarbazol-3-yl)phenoxazin-3-amine is sourced from PubChem (CID 58050780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).