N,N-bis(9,9-diphenylfluoren-2-yl)-8-[4-[2-[(9,9-diphenylfluoren-2-yl)-phenanthren-2-ylamino]-9-phenylfluoren-9-yl]phenyl]phenanthren-3-amine

C128H84N2 — CID 135303377

IUPACN,N-bis(9,9-diphenylfluoren-2-yl)-8-[4-[2-[(9,9-diphenylfluoren-2-yl)-phenanthren-2-ylamino]-9-phenylfluoren-9-yl]phenyl]phenanthren-3-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccc(-c6cccc7c6ccc6ccc(N(c8ccc9c(c8)C(c8ccccc8)(c8ccccc8)c8ccccc8-9)c8ccc9c(c8)C(c8ccccc8)(c8ccccc8)c8ccccc8-9)cc67)cc4)c4ccccc4-5)c4ccc5c(ccc6ccccc65)c4)cc32)cc1
InChIInChI=1S/C128H84N2/c1-8-34-89(35-9-1)125(90-36-10-2-11-37-90)117-55-28-24-49-108(117)112-75-69-99(81-121(112)125)129(97-68-74-105-88(79-97)60-59-85-33-22-23-48-103(85)105)100-70-76-115-111-52-27-31-58-120(111)128(124(115)82-100,95-46-20-7-21-47-95)96-65-61-86(62-66-96)104-53-32-54-106-107(104)73-64-87-63-67-98(80-116(87)106)130(101-71-77-113-109-50-25-29-56-118(109)126(122(113)83-101,91-38-12-3-13-39-91)92-40-14-4-15-41-92)102-72-78-114-110-51-26-30-57-119(110)127(123(114)84-102,93-42-16-5-17-43-93)94-44-18-6-19-45-94/h1-84H
InChIKeyXJWMRMCDLMCTIL-UHFFFAOYSA-N
MW1650.09 g/mol
LogP32.36
Rot. Bonds15

About N,N-bis(9,9-diphenylfluoren-2-yl)-8-[4-[2-[(9,9-diphenylfluoren-2-yl)-phenanthren-2-ylamino]-9-phenylfluoren-9-yl]phenyl]phenanthren-3-amine

N,N-bis(9,9-diphenylfluoren-2-yl)-8-[4-[2-[(9,9-diphenylfluoren-2-yl)-phenanthren-2-ylamino]-9-phenylfluoren-9-yl]phenyl]phenanthren-3-amine (PubChem CID 135303377) has the molecular formula C128H84N2 and a molecular weight of 1650.09 g/mol. Its IUPAC name is N,N-bis(9,9-diphenylfluoren-2-yl)-8-[4-[2-[(9,9-diphenylfluoren-2-yl)-phenanthren-2-ylamino]-9-phenylfluoren-9-yl]phenyl]phenanthren-3-amine.

Molecular Properties

Compound NameN,N-bis(9,9-diphenylfluoren-2-yl)-8-[4-[2-[(9,9-diphenylfluoren-2-yl)-phenanthren-2-ylamino]-9-phenylfluoren-9-yl]phenyl]phenanthren-3-amine
PubChem CID135303377
Molecular FormulaC128H84N2
Molecular Weight1650.09 g/mol
Exact Mass1648.66
IUPAC NameN,N-bis(9,9-diphenylfluoren-2-yl)-8-[4-[2-[(9,9-diphenylfluoren-2-yl)-phenanthren-2-ylamino]-9-phenylfluoren-9-yl]phenyl]phenanthren-3-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccc(-c6cccc7c6ccc6ccc(N(c8ccc9c(c8)C(c8ccccc8)(c8ccccc8)c8ccccc8-9)c8ccc9c(c8)C(c8ccccc8)(c8ccccc8)c8ccccc8-9)cc67)cc4)c4ccccc4-5)c4ccc5c(ccc6ccccc65)c4)cc32)cc1
InChIInChI=1S/C128H84N2/c1-8-34-89(35-9-1)125(90-36-10-2-11-37-90)117-55-28-24-49-108(117)112-75-69-99(81-121(112)125)129(97-68-74-105-88(79-97)60-59-85-33-22-23-48-103(85)105)100-70-76-115-111-52-27-31-58-120(111)128(124(115)82-100,95-46-20-7-21-47-95)96-65-61-86(62-66-96)104-53-32-54-106-107(104)73-64-87-63-67-98(80-116(87)106)130(101-71-77-113-109-50-25-29-56-118(109)126(122(113)83-101,91-38-12-3-13-39-91)92-40-14-4-15-41-92)102-72-78-114-110-51-26-30-57-119(110)127(123(114)84-102,93-42-16-5-17-43-93)94-44-18-6-19-45-94/h1-84H
InChIKeyXJWMRMCDLMCTIL-UHFFFAOYSA-N
XLogP32.36
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms130
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001650.09
LogP ≤ 532.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N,N-bis(9,9-diphenylfluoren-2-yl)-8-[4-[2-[(9,9-diphenylfluoren-2-yl)-phenanthren-2-ylamino]-9-phenylfluoren-9-yl]phenyl]phenanthren-3-amine with MolForge

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Related Compounds

N,N-bis(9,9-diphenylfluoren-2-yl)phenanthren-3-amine
CID 135299595
N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)chrysen-3-amine
CID 164748052
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenanthren-9-ylphenyl)triphenylen-2-amine
CID 142567575
N-(4-naphthalen-1-ylphenyl)-9-phenyl-N,9-bis(4-phenylphenyl)fluoren-2-amine
CID 163699411
N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169064351
N-(9,9-dimethylfluoren-2-yl)-7-[7-[4-[(9,9-diphenylfluoren-2-yl)-phenanthren-2-ylamino]phenyl]phenanthren-1-yl]-N-(4-phenanthren-2-ylphenyl)phenanthren-2-amine
CID 166732688
N-naphthalen-2-yl-N-(4-phenanthren-3-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 142589076
N-(4-phenanthren-9-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 142754283
N-(9,9-diphenylfluoren-2-yl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaen-7-amine
CID 130290726
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(3,4-diphenylphenyl)phenanthren-3-amine
CID 177081102
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)phenanthren-3-amine
CID 142589057
N,N-bis(4-phenanthren-2-ylphenyl)triphenylen-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-2-ylphenyl)phenanthren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenanthren-2-ylphenyl)phenanthren-2-amine;N-[4-(3,5-diphenylphenyl)phenyl]-4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)aniline
CID 163978822

Frequently Asked Questions

What is the IUPAC name of N,N-bis(9,9-diphenylfluoren-2-yl)-8-[4-[2-[(9,9-diphenylfluoren-2-yl)-phenanthren-2-ylamino]-9-phenylfluoren-9-yl]phenyl]phenanthren-3-amine?
The IUPAC name of N,N-bis(9,9-diphenylfluoren-2-yl)-8-[4-[2-[(9,9-diphenylfluoren-2-yl)-phenanthren-2-ylamino]-9-phenylfluoren-9-yl]phenyl]phenanthren-3-amine (CID 135303377) is N,N-bis(9,9-diphenylfluoren-2-yl)-8-[4-[2-[(9,9-diphenylfluoren-2-yl)-phenanthren-2-ylamino]-9-phenylfluoren-9-yl]phenyl]phenanthren-3-amine.
What is the SMILES notation for N,N-bis(9,9-diphenylfluoren-2-yl)-8-[4-[2-[(9,9-diphenylfluoren-2-yl)-phenanthren-2-ylamino]-9-phenylfluoren-9-yl]phenyl]phenanthren-3-amine?
The canonical SMILES for N,N-bis(9,9-diphenylfluoren-2-yl)-8-[4-[2-[(9,9-diphenylfluoren-2-yl)-phenanthren-2-ylamino]-9-phenylfluoren-9-yl]phenyl]phenanthren-3-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccc(-c6cccc7c6ccc6ccc(N(c8ccc9c(c8)C(c8ccccc8)(c8ccccc8)c8ccccc8-9)c8ccc9c(c8)C(c8ccccc8)(c8ccccc8)c8ccccc8-9)cc67)cc4)c4ccccc4-5)c4ccc5c(ccc6ccccc65)c4)cc32)cc1.
What is the InChIKey of N,N-bis(9,9-diphenylfluoren-2-yl)-8-[4-[2-[(9,9-diphenylfluoren-2-yl)-phenanthren-2-ylamino]-9-phenylfluoren-9-yl]phenyl]phenanthren-3-amine?
The InChIKey is XJWMRMCDLMCTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C128H84N2/c1-8-34-89(35-9-1)125(90-36-10-2-11-37-90)117-55-28-24-49-108(117)112-75-69-99(81-121(112)125)129(97-68-74-105-88(79-97)60-59-85-33-22-23-48-103(85)105)100-70-76-115-111-52-27-31-58-120(111)128(124(115)82-100,95-46-20-7-21-47-95)96-65-61-86(62-66-96)104-53-32-54-106-107(104)73-64-87-63-67-98(80-116(87)106)130(101-71-77-113-109-50-25-29-56-118(109)126(122(113)83-101,91-38-12-3-13-39-91)92-40-14-4-15-41-92)102-72-78-114-110-51-26-30-57-119(110)127(123(114)84-102,93-42-16-5-17-43-93)94-44-18-6-19-45-94/h1-84H.
What are the key properties of N,N-bis(9,9-diphenylfluoren-2-yl)-8-[4-[2-[(9,9-diphenylfluoren-2-yl)-phenanthren-2-ylamino]-9-phenylfluoren-9-yl]phenyl]phenanthren-3-amine?
N,N-bis(9,9-diphenylfluoren-2-yl)-8-[4-[2-[(9,9-diphenylfluoren-2-yl)-phenanthren-2-ylamino]-9-phenylfluoren-9-yl]phenyl]phenanthren-3-amine has a molecular weight of 1650.09 g/mol, XLogP of 32.36, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(9,9-diphenylfluoren-2-yl)-8-[4-[2-[(9,9-diphenylfluoren-2-yl)-phenanthren-2-ylamino]-9-phenylfluoren-9-yl]phenyl]phenanthren-3-amine is sourced from PubChem (CID 135303377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).