N-(9,9-dimethylfluoren-2-yl)-N-[9-[2-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]-9-methylfluoren-9-yl]-9-methylfluoren-2-yl]pyren-1-amine

C90H64N2 — CID 134432413

IUPACN-(9,9-dimethylfluoren-2-yl)-N-[9-[2-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]-9-methylfluoren-9-yl]-9-methylfluoren-2-yl]pyren-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C3(C)c5ccccc5-c5ccc(N(c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6ccc7ccc8cccc9ccc6c7c89)cc53)c3ccccc3-4)c3ccc4ccc5cccc6ccc3c4c56)cc21
InChIInChI=1S/C90H64N2/c1-87(2)73-25-11-7-21-63(73)67-43-37-59(49-77(67)87)91(81-47-35-57-31-29-53-17-15-19-55-33-41-71(81)85(57)83(53)55)61-39-45-69-65-23-9-13-27-75(65)89(5,79(69)51-61)90(6)76-28-14-10-24-66(76)70-46-40-62(52-80(70)90)92(60-38-44-68-64-22-8-12-26-74(64)88(3,4)78(68)50-60)82-48-36-58-32-30-54-18-16-20-56-34-42-72(82)86(58)84(54)56/h7-52H,1-6H3
InChIKeyQVRNXHGSOIEFSE-UHFFFAOYSA-N
MW1173.52 g/mol
LogP24.31
Rot. Bonds7

About N-(9,9-dimethylfluoren-2-yl)-N-[9-[2-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]-9-methylfluoren-9-yl]-9-methylfluoren-2-yl]pyren-1-amine

N-(9,9-dimethylfluoren-2-yl)-N-[9-[2-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]-9-methylfluoren-9-yl]-9-methylfluoren-2-yl]pyren-1-amine (PubChem CID 134432413) has the molecular formula C90H64N2 and a molecular weight of 1173.52 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-[9-[2-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]-9-methylfluoren-9-yl]-9-methylfluoren-2-yl]pyren-1-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-[9-[2-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]-9-methylfluoren-9-yl]-9-methylfluoren-2-yl]pyren-1-amine
PubChem CID134432413
Molecular FormulaC90H64N2
Molecular Weight1173.52 g/mol
Exact Mass1172.51
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-[9-[2-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]-9-methylfluoren-9-yl]-9-methylfluoren-2-yl]pyren-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C3(C)c5ccccc5-c5ccc(N(c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6ccc7ccc8cccc9ccc6c7c89)cc53)c3ccccc3-4)c3ccc4ccc5cccc6ccc3c4c56)cc21
InChIInChI=1S/C90H64N2/c1-87(2)73-25-11-7-21-63(73)67-43-37-59(49-77(67)87)91(81-47-35-57-31-29-53-17-15-19-55-33-41-71(81)85(57)83(53)55)61-39-45-69-65-23-9-13-27-75(65)89(5,79(69)51-61)90(6)76-28-14-10-24-66(76)70-46-40-62(52-80(70)90)92(60-38-44-68-64-22-8-12-26-74(64)88(3,4)78(68)50-60)82-48-36-58-32-30-54-18-16-20-56-34-42-72(82)86(58)84(54)56/h7-52H,1-6H3
InChIKeyQVRNXHGSOIEFSE-UHFFFAOYSA-N
XLogP24.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001173.52
LogP ≤ 524.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(9,9-dimethylfluoren-2-yl)-N-[9-[2-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]-9-methylfluoren-9-yl]-9-methylfluoren-2-yl]pyren-1-amine with MolForge

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Related Compounds

N-[9-tert-butyl-9-[9-tert-butyl-2-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]fluoren-9-yl]fluoren-2-yl]-N-(9,9-dimethylfluoren-2-yl)pyren-1-amine
CID 134432412
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 58983323
9,9-dimethyl-2-N,7-N-di(pyren-1-yl)-2-N,7-N-dipyridin-2-ylfluorene-2,7-diamine
CID 58883934
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-ylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine
CID 167410938
N-(9,9-dimethylfluoren-2-yl)-7-[5-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]-7-phenylbenzo[c]fluoren-7-yl]-7-phenyl-N-pyren-1-ylbenzo[c]fluoren-5-amine
CID 134432721
2-N,6-N-diphenyl-9,10-di(pyren-1-yl)-2-N,6-N-bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)anthracene-2,6-diamine
CID 88869077
N-dibenzofuran-4-yl-N-pyren-1-yldibenzofuran-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-pyren-1-yldibenzofuran-4-amine;N-naphthalen-1-yl-N-pyren-1-yldibenzofuran-4-amine;N-naphthalen-2-yl-N-pyren-1-yldibenzofuran-4-amine
CID 159006380
N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-9-phenylbenzo[a]phenalen-1-amine
CID 167232083
9,9-dimethyl-N-[2-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 177100506
N-(9,9-dimethylfluoren-2-yl)-N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-15,15-dimethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine
CID 129118409
N,N-bis(9,9-dimethylfluoren-2-yl)chrysen-2-amine
CID 170139827
5-N,18-N-bis(9,9-dimethylfluoren-2-yl)-5-N,18-N-dinaphthalen-1-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine
CID 121476605

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[9-[2-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]-9-methylfluoren-9-yl]-9-methylfluoren-2-yl]pyren-1-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[9-[2-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]-9-methylfluoren-9-yl]-9-methylfluoren-2-yl]pyren-1-amine (CID 134432413) is N-(9,9-dimethylfluoren-2-yl)-N-[9-[2-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]-9-methylfluoren-9-yl]-9-methylfluoren-2-yl]pyren-1-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-[9-[2-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]-9-methylfluoren-9-yl]-9-methylfluoren-2-yl]pyren-1-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-[9-[2-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]-9-methylfluoren-9-yl]-9-methylfluoren-2-yl]pyren-1-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C3(C)c5ccccc5-c5ccc(N(c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6ccc7ccc8cccc9ccc6c7c89)cc53)c3ccccc3-4)c3ccc4ccc5cccc6ccc3c4c56)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-[9-[2-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]-9-methylfluoren-9-yl]-9-methylfluoren-2-yl]pyren-1-amine?
The InChIKey is QVRNXHGSOIEFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H64N2/c1-87(2)73-25-11-7-21-63(73)67-43-37-59(49-77(67)87)91(81-47-35-57-31-29-53-17-15-19-55-33-41-71(81)85(57)83(53)55)61-39-45-69-65-23-9-13-27-75(65)89(5,79(69)51-61)90(6)76-28-14-10-24-66(76)70-46-40-62(52-80(70)90)92(60-38-44-68-64-22-8-12-26-74(64)88(3,4)78(68)50-60)82-48-36-58-32-30-54-18-16-20-56-34-42-72(82)86(58)84(54)56/h7-52H,1-6H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-[9-[2-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]-9-methylfluoren-9-yl]-9-methylfluoren-2-yl]pyren-1-amine?
N-(9,9-dimethylfluoren-2-yl)-N-[9-[2-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]-9-methylfluoren-9-yl]-9-methylfluoren-2-yl]pyren-1-amine has a molecular weight of 1173.52 g/mol, XLogP of 24.31, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-[9-[2-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]-9-methylfluoren-9-yl]-9-methylfluoren-2-yl]pyren-1-amine is sourced from PubChem (CID 134432413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).