N-(9,9-dimethylfluoren-2-yl)-10-(4-phenylphenyl)-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine

C65H47N — CID 155304244

IUPACN-(9,9-dimethylfluoren-2-yl)-10-(4-phenylphenyl)-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5cccc(-c6ccccc6)c5)cc4)cc3)c3c(-c4ccc(-c5ccccc5)cc4)c4ccccc4c4ccccc34)cc21
InChIInChI=1S/C65H47N/c1-65(2)61-27-14-13-24-57(61)58-41-40-54(43-62(58)65)66(53-38-36-48(37-39-53)47-28-30-49(31-29-47)52-21-15-20-51(42-52)45-18-7-4-8-19-45)64-60-26-12-10-23-56(60)55-22-9-11-25-59(55)63(64)50-34-32-46(33-35-50)44-16-5-3-6-17-44/h3-43H,1-2H3
InChIKeyZUUPZABTVNOQRU-UHFFFAOYSA-N
MW842.10 g/mol
LogP18.10
Rot. Bonds8

About N-(9,9-dimethylfluoren-2-yl)-10-(4-phenylphenyl)-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine

N-(9,9-dimethylfluoren-2-yl)-10-(4-phenylphenyl)-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine (PubChem CID 155304244) has the molecular formula C65H47N and a molecular weight of 842.10 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-10-(4-phenylphenyl)-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-10-(4-phenylphenyl)-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
PubChem CID155304244
Molecular FormulaC65H47N
Molecular Weight842.10 g/mol
Exact Mass841.37
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-10-(4-phenylphenyl)-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5cccc(-c6ccccc6)c5)cc4)cc3)c3c(-c4ccc(-c5ccccc5)cc4)c4ccccc4c4ccccc34)cc21
InChIInChI=1S/C65H47N/c1-65(2)61-27-14-13-24-57(61)58-41-40-54(43-62(58)65)66(53-38-36-48(37-39-53)47-28-30-49(31-29-47)52-21-15-20-51(42-52)45-18-7-4-8-19-45)64-60-26-12-10-23-56(60)55-22-9-11-25-59(55)63(64)50-34-32-46(33-35-50)44-16-5-3-6-17-44/h3-43H,1-2H3
InChIKeyZUUPZABTVNOQRU-UHFFFAOYSA-N
XLogP18.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.10
LogP ≤ 518.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[10-[N-(9,9-dimethylfluoren-2-yl)-4-[4-[4-[3-[10-[N-(9,9-dimethylfluoren-2-yl)-4-(3-phenylphenyl)anilino]phenanthren-9-yl]phenyl]phenyl]phenyl]anilino]phenanthren-9-yl]phenyl]-2-phenylphenyl]-10-phenylphenanthren-9-amine
CID 155305640
N-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-yl-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304446
N-(9,9-dimethylfluoren-2-yl)-N-(3,4-diphenylphenyl)-10-(3-phenylphenyl)phenanthren-9-amine
CID 155304597
N-(10-phenylphenanthren-9-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 155303553
N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,6-diphenylbenzo[a]fluoren-5-amine
CID 169280376
14-N,21-N-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-14-N,21-N-bis(4-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine
CID 88555488
8,13-bis(3,5-diphenylphenyl)-N,N,6-triphenylbenzo[a]tetracen-5-amine;8-(9,9-dimethylfluoren-2-yl)-13-(9,9-dimethylfluoren-3-yl)-N,N,6-triphenylbenzo[a]tetracen-5-amine;N,N,6-triphenyl-8,13-bis(4-phenylphenyl)benzo[a]tetracen-5-amine
CID 158923268
N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)-10-phenylphenanthren-9-amine
CID 167219111
10-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine
CID 155304182
N-[4-[11,11-dimethyl-6-(4-phenylphenyl)benzo[a]fluoren-5-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 169280587
N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304715
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-10-(4-phenylphenyl)-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-10-(4-phenylphenyl)-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine (CID 155304244) is N-(9,9-dimethylfluoren-2-yl)-10-(4-phenylphenyl)-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-10-(4-phenylphenyl)-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-10-(4-phenylphenyl)-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5cccc(-c6ccccc6)c5)cc4)cc3)c3c(-c4ccc(-c5ccccc5)cc4)c4ccccc4c4ccccc34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-10-(4-phenylphenyl)-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine?
The InChIKey is ZUUPZABTVNOQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H47N/c1-65(2)61-27-14-13-24-57(61)58-41-40-54(43-62(58)65)66(53-38-36-48(37-39-53)47-28-30-49(31-29-47)52-21-15-20-51(42-52)45-18-7-4-8-19-45)64-60-26-12-10-23-56(60)55-22-9-11-25-59(55)63(64)50-34-32-46(33-35-50)44-16-5-3-6-17-44/h3-43H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-10-(4-phenylphenyl)-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine?
N-(9,9-dimethylfluoren-2-yl)-10-(4-phenylphenyl)-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine has a molecular weight of 842.10 g/mol, XLogP of 18.10, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-10-(4-phenylphenyl)-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine is sourced from PubChem (CID 155304244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).